（已解决）orca提交到计算节点报错

渡边京介

想通过alias指明orca，但是这个好像不会生效，所以系统把orca当成了python2.7下的一个文件，运行时写入orca的路径全称就不会报错了

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最近想使用一个slurm集群计算orca任务，把本机的openmpi和orca复制安装到集群的login节点后，在login节点可以正常运行，但提交到计算节点后报错

有没有朋友也用集群做orca的计算，求指教怎么配置

作业脚本如下

#!/bin/bash
#SBATCH --job-name=ORCA
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=32
#SBATCH --cpus-per-task=1
#SBATCH --partition=debug
#SBATCH -o %j.log

# load the environment
export PATH=$PATH:/public/home/clxy_wt_cc/openmpi411/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/public/home/clxy_wt_cc/openmpi411/lib
export PATH=$PATH:/public/home/clxy_wt_cc/orca_5_0_4_linux_x86-64_shared_openmpi411
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/public/home/clxy_wt_cc/orca_5_0_4_linux_x86-64_shared_openmpi
alias orca='/public/home/clxy_wt_cc/orca_5_0_4_linux_x86-64_shared_openmpi411/orca'
srun orca PM6.inp > PM6.out
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报错结果如下
(process:57782): dconf-CRITICAL **: 13:42:27.871: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57784): dconf-CRITICAL **: 13:42:27.871: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57786): dconf-CRITICAL **: 13:42:27.871: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57788): dconf-CRITICAL **: 13:42:27.871: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57790): dconf-CRITICAL **: 13:42:27.874: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57788): dconf-CRITICAL **: 13:42:27.876: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57784): dconf-CRITICAL **: 13:42:27.876: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57786): dconf-CRITICAL **: 13:42:27.876: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57782): dconf-CRITICAL **: 13:42:27.876: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57781): dconf-CRITICAL **: 13:42:27.878: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57783): dconf-CRITICAL **: 13:42:27.878: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57785): dconf-CRITICAL **: 13:42:27.878: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57787): dconf-CRITICAL **: 13:42:27.879: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57789): dconf-CRITICAL **: 13:42:27.881: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57793): dconf-CRITICAL **: 13:42:27.886: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57794): dconf-CRITICAL **: 13:42:27.884: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57795): dconf-CRITICAL **: 13:42:27.883: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57796): dconf-CRITICAL **: 13:42:27.889: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57791): dconf-CRITICAL **: 13:42:27.890: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57792): dconf-CRITICAL **: 13:42:27.891: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57802): dconf-CRITICAL **: 13:42:27.892: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57801): dconf-CRITICAL **: 13:42:27.892: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57797): dconf-CRITICAL **: 13:42:27.892: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57799): dconf-CRITICAL **: 13:42:27.892: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57803): dconf-CRITICAL **: 13:42:27.892: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57808): dconf-CRITICAL **: 13:42:27.893: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57809): dconf-CRITICAL **: 13:42:27.893: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57805): dconf-CRITICAL **: 13:42:27.893: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57798): dconf-CRITICAL **: 13:42:27.893: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57804): dconf-CRITICAL **: 13:42:27.893: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57811): dconf-CRITICAL **: 13:42:27.894: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57800): dconf-CRITICAL **: 13:42:27.894: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57806): dconf-CRITICAL **: 13:42:27.894: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57807): dconf-CRITICAL **: 13:42:27.894: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57810): dconf-CRITICAL **: 13:42:27.894: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57812): dconf-CRITICAL **: 13:42:27.894: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57790): dconf-CRITICAL **: 13:42:27.903: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57783): dconf-CRITICAL **: 13:42:27.909: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57796): dconf-CRITICAL **: 13:42:27.913: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57795): dconf-CRITICAL **: 13:42:27.914: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57794): dconf-CRITICAL **: 13:42:27.915: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57781): dconf-CRITICAL **: 13:42:27.915: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57797): dconf-CRITICAL **: 13:42:27.915: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(process:57792): dconf-CRITICAL **: 13:42:27.916: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57789): dconf-CRITICAL **: 13:42:27.916: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57793): dconf-CRITICAL **: 13:42:27.916: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57785): dconf-CRITICAL **: 13:42:27.918: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57802): dconf-CRITICAL **: 13:42:27.920: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57787): dconf-CRITICAL **: 13:42:27.920: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57791): dconf-CRITICAL **: 13:42:27.924: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57809): dconf-CRITICAL **: 13:42:27.929: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57800): dconf-CRITICAL **: 13:42:27.929: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57803): dconf-CRITICAL **: 13:42:27.930: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57801): dconf-CRITICAL **: 13:42:27.930: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57812): dconf-CRITICAL **: 13:42:27.930: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57808): dconf-CRITICAL **: 13:42:27.930: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57807): dconf-CRITICAL **: 13:42:27.931: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57799): dconf-CRITICAL **: 13:42:27.931: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57798): dconf-CRITICAL **: 13:42:27.933: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57811): dconf-CRITICAL **: 13:42:27.934: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57804): dconf-CRITICAL **: 13:42:27.934: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.

(orca:57810): dconf-CRITICAL **: 13:42:27.934: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57805): dconf-CRITICAL **: 13:42:27.934: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk
/usr/lib64/python2.7/site-packages/orca/orca.py:52: PyGIWarning: Gtk was imported without specifying a version first. Use gi.require_version('Gtk', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Gtk

(orca:57806): dconf-CRITICAL **: 13:42:27.937: unable to create directory '/run/user/1142/dconf': Permission denied.  dconf will not work properly.
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
/usr/lib64/python2.7/site-packages/orca/mouse_review.py:31: PyGIWarning: Wnck was imported without specifying a version first. Use gi.require_version('Wnck', '3.0') before import to ensure that the right version gets loaded.
  from gi.repository import Wnck
srun: error: gpu13: tasks 0-31: Exited with exit code 1
srun: Terminating job step 20807.0

M107

您好 我也遇到了配置orca脚本同样的问题，报错显示no such file，想请教一下是怎么解决的

Entropy.S.I

M107 发表于 2024-9-7 17:55
您好 我也遇到了配置orca脚本同样的问题，报错显示no such file，想请教一下是怎么解决的

提交Slurm Job默认使用的是noninteractive shell，因此不会解析alias。

方法1：使用interactive shell，i.e. 首行写“#!/bin/bash -i”。

方法2：使用绝对路径，或将绝对路径设置为环境变量$ORCA_EXEC后使用$ORCA_EXEC启动ORCA。

此外，ORCA对存储IO压力极大，在集群上运行时，务必使用burst buffer文件系统，而不是使用大部分集群默认提供的全局共享文件系统。后者可能会导致计算速度降低一个数量级甚至更多。

M107

Entropy.S.I 发表于 2024-9-7 19:14
提交Slurm Job默认使用的是noninteractive shell，因此不会解析alias。

方法1：使用interactive shell ...

谢谢您，但是我们的集群是SGE集群，您的方法我用了但是还是跑不起来，可否再帮忙看看我的脚本呢……？谢谢！