Turbomole任务出错

superrice

集群上运行RICC2计算出错，提示too long file name in localfile。这个什么情况，总觉得一般不太可能file name超过规定的长度吧。

bluewhale

脚本？及pwd的路径？

superrice

bluewhale 发表于 2016-10-16 20:21
脚本？及pwd的路径？

myscratch=/public/home/qishengzhang/chaowang/scratch/$(echo $PBS_JOBID | cut -d. -f1); export myscratch
mkdir $myscratch

##################################Turbomole 7.1##################################

######## ENTER YOUR TURBOMOLE INSTALLATION PATH HERE ##########
export TURBODIR=/public/home/qishengzhang/software/TURBOMOLE
###############################################################

export PATH=$TURBODIR/scripts:$PATH
## set locale to C
unset LANG
unset LC_CTYPE
# set stack size limit to unlimited:
ulimit -s unlimited
# Count the number of nodes
PBS_L_NODENUMBER=`wc -l < $PBS_NODEFILE`
# Check if this is a parallel job
if [ $PBS_L_NODENUMBER -gt 1 ]; then
##### Parallel job
# Set environment variables for a MPI job
export PARA_ARCH=MPI
export PATH="${TURBODIR}/bin/em64t-unknown-linux-gnu_mpi:${PATH}"
export PARNODES=`expr $PBS_L_NODENUMBER`
##export PARNODES=8
else
##### Sequentiel job
# set the PATH for Turbomole calculations
export PATH="${TURBODIR}/bin/em64t-unknown-linux-gnu:${PATH}"
fi
export TURBOTMPDIR=$myscratch
export HOSTS_FILE=/public/home/qishengzhang/software/TURBOMOLE/Turbomole_hostfile

######## ENTER YOUR JOB HERE ########
##dscf > dscf.out
ricc2 > ricc2.out
#####################################

##TTEST all

######################################end########################################
date


pwd路径=/public/home/qishengzhang/chaowang/ST_spli/PhCz/S1/CC2

superrice

bluewhale 发表于 2016-10-16 20:21
脚本？及pwd的路径？

输出文件出错信息
      The semi-canonical algorithm will be used for densities

========================
internal module stack:
------------------------
    ricc2
    cc_rspdrv
    cc_rspvec
========================

too long file name in localfile.
ricc2 ended abnormally
ricc2 ended abnormally
ricc2 ended abnormally
ricc2 ended abnormally
ricc2 ended abnormally
MPI Application rank 5 exited before MPI_Finalize() with status 13

bluewhale

1) scratch路径是长了一点；
2）为什么不用本地硬盘？

superrice

bluewhale 发表于 2016-10-16 21:55
1) scratch路径是长了一点；
2）为什么不用本地硬盘？

我应该怎么修改呀？不太明白本地硬盘？

幻七熏

##dscf > dscf.out应该不能注释吧？

bluewhale

superrice 发表于 2016-10-16 22:16
我应该怎么修改呀？不太明白本地硬盘？

问系统管理员，一般在/scratch下。