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标题: ORCA中的goat模块报错 [打印本页]
作者Author: 413 时间: 2026-6-10 23:22
标题: ORCA中的goat模块报错
请问有人遇到过下面的错误吗?我怀疑是搜索过程中结构不收敛导致的,不确定对不对
19 363.00 960.00 1.00 : 0.50 108 3 search.goat.3.19.out
--------------------------------------------------------------------------
A call to mkdir was unable to create the desired directory:
Directory:/tmp/ompi.localhost.1004/pid.4150297
Error: No such file or directory
Please check to ensure you have adequate permissions toperform
the desired operation.
--------------------------------------------------------------------------
[localhost.localdomain:4150297] [[33961,0],0]ORTE_ERROR_LOG: Error in file util/session_dir.c at line 107
[localhost.localdomain:4150297] [[33961,0],0]ORTE_ERROR_LOG: Error in file util/session_dir.c at line 346
--------------------------------------------------------------------------
It looks like orte_init failed for some reason; yourparallel process is
likely to abort. There are many reasons that a parallel process can
fail during orte_init; some of which are due toconfiguration or
environment problems. This failure appears to be an internal failure;
here's some additional information (which may only berelevant to an
Open MPI developer):
orte_session_dirfailed
--> Returnedvalue Error (-1) instead of ORTE_SUCCESS
--------------------------------------------------------------------------
[file orca_tools/qcmsg.cpp, line 394]:
.... aborting therun
GOAT Global Iter 4
GOAT Global Iter 5
……
18 725.99 960.00 1.00 : 0.50 108 3 search.goat.5.18.out
--------------------------------------------------------------------------
A call to mkdir was unable to create the desired directory:
Directory:/tmp/ompi.localhost.1004/pid.4067659
Error: No such file or directory
Please check to ensure you have adequate permissions toperform
the desired operation.
--------------------------------------------------------------------------
[localhost.localdomain:4067659] [[49658,0],0]ORTE_ERROR_LOG: Error in file util/session_dir.c at line 107
[localhost.localdomain:4067659] [[49658,0],0]ORTE_ERROR_LOG: Error in file util/session_dir.c at line 346
--------------------------------------------------------------------------
It looks like orte_init failed for some reason; yourparallel process is
likely to abort. There are many reasons that a parallel process can
fail during orte_init; some of which are due toconfiguration or
environment problems. This failure appears to be an internal failure;
here's some additional information (which may only berelevant to an
Open MPI developer):
orte_session_dirfailed
--> Returnedvalue Error (-1) instead of ORTE_SUCCESS
------------------------------------------------------------------------
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