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本帖最后由 hanshan 于 2019-4-4 13:54 编辑
下载了orca411的2个版本1个是orca_4_1_1_linux_x86-64_shared_openmpi313
1个orca_4_1_1_linux_x86-64_openmpi313
两个运行程序都报错如下
请问是怎么解决呢，openmpi的lib已经配置了
@sobereva
[ad01:28484] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 206
[ad01:28484] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 147
[ad01:28484] PMIX ERROR: UNPACK-PAST-END in file client/pmix_client.c at line 223
[ad01:28482] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 206
[ad01:28482] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 147
[ad01:28482] PMIX ERROR: UNPACK-PAST-END in file client/pmix_client.c at line 223
[ad01:28482] OPAL ERROR: Error in file pmix2x_client.c at line 109
[ad01:28483] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 206
[ad01:28483] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 147
[ad01:28483] PMIX ERROR: UNPACK-PAST-END in file client/pmix_client.c at line 223
[ad01:28483] OPAL ERROR: Error in file pmix2x_client.c at line 109
[ad01:28484] OPAL ERROR: Error in file pmix2x_client.c at line 109
[ad01:28485] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 206
[ad01:28485] PMIX ERROR: UNPACK-PAST-END in file unpack.c at line 147
[ad01:28485] PMIX ERROR: UNPACK-PAST-END in file client/pmix_client.c at line 223
[ad01:28485] OPAL ERROR: Error in file pmix2x_client.c at line 109
*** An error occurred in MPI_Init
*** on a NULL communicator
*** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
*** and potentially your MPI job)
[ad01:28484] Local abort before MPI_INIT completed completed successfully, but am not able to aggregate error messages, and not able to guarantee that all other processes were killed!
*** An error occurred in MPI_Init
*** on a NULL communicator
*** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
*** and potentially your MPI job)
[ad01:28482] Local abort before MPI_INIT completed completed successfully, but am not able to aggregate error messages, and not able to guarantee that all other processes were killed!
*** An error occurred in MPI_Init
*** on a NULL communicator
*** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
*** and potentially your MPI job)
[ad01:28485] Local abort before MPI_INIT completed completed successfully, but am not able to aggregate error messages, and not able to guarantee that all other processes were killed!
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
*** An error occurred in MPI_Init
*** on a NULL communicator
*** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
*** and potentially your MPI job)
[ad01:28483] Local abort before MPI_INIT completed completed successfully, but am not able to aggregate error messages, and not able to guarantee that all other processes were killed!
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[23038,1],2]
Exit code: 1
--------------------------------------------------------------------------
ORCA finished by error termination in GTOInt
Calling Command: mpirun -np 4 /home/zz09/bin/orca_4_1_1_linux_x86-64_openmpi313/orca_gtoint_mpi to3.int.tmp to3
[file orca_tools/qcmsg.cpp, line 458]:
.... aborting the run
[file orca_tools/qcmsg.cpp, line 458]:
.... aborting the run
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发表于 Post on 2019-4-4 11:33:36
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楼主 Author
发表于 Post on 2019-4-5 05:34:56