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[求助]
VASP并行安装出现问题
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VASP.5.2并行安装时，make之后，最后出现这： /opt/intel/composer_xe_2013.2.146/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail |
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在终端下运行mpirun vasp 得到如下结果： mpirun has detected an attempt to run as root. This is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. |
2楼2015-01-31 20:46:25
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执行mpirun -np 2 vasp 之后出现这： [zm@localhost vasp.5.2]$ mpirun -np 2 vasp Error reading item 'VCAIMAGES' from file INCAR. forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00000033128CC0A6 Unknown Unknown Unknown libopen-pal.so.6 00002B49A342A279 Unknown Unknown Unknown libopen-pal.so.6 00002B49A341FAFE Unknown Unknown Unknown libopen-pal.so.6 00002B49A33D8ECB Unknown Unknown Unknown libmpi.so.1 00002B49A2E60F31 Unknown Unknown Unknown libmpi.so.1 00002B49A2E839BF Unknown Unknown Unknown libmpi_mpifh.so.2 00002B49A2C03717 Unknown Unknown Unknown vasp 000000000045DC9D Unknown Unknown Unknown vasp 000000000047B1B3 Unknown Unknown Unknown vasp 000000000040B7EF Unknown Unknown Unknown vasp 000000000040B72C Unknown Unknown Unknown libc.so.6 000000331281D9F4 Unknown Unknown Unknown vasp 000000000040B639 Unknown Unknown Unknown -------------------------------------------------------------------------- mpirun has exited due to process rank 0 with PID 13692 on node localhost exiting improperly. There are three reasons this could occur: 1. this process did not call "init" before exiting, but others in the job did. This can cause a job to hang indefinitely while it waits for all processes to call "init". By rule, if one process calls "init", then ALL processes must call "init" prior to termination. 2. this process called "init", but exited without calling "finalize". By rule, all processes that call "init" MUST call "finalize" prior to exiting or it will be considered an "abnormal termination" 3. this process called "MPI_Abort" or "orte_abort" and the mca parameter orte_create_session_dirs is set to false. In this case, the run-time cannot detect that the abort call was an abnormal termination. Hence, the only error message you will receive is this one. This may have caused other processes in the application to be terminated by signals sent by mpirun (as reported here). You can avoid this message by specifying -quiet on the mpirun command line. 弄了一整天还没搞好，在家也没人指导 |
3楼2015-01-31 21:49:12
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木虫 (初入文坛)
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4楼2015-02-01 14:01:53
huhupanpan
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5楼2015-02-02 20:09:08
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请问这个问题你是怎么解决的 同问 mpirun has detected an attempt to run as root. Running at root is *strongly* discouraged as any mistake (e.g., in defining TMPDIR) or bug can result in catastrophic damage to the OS file system, leaving your system in an unusable state. You can override this protection by adding the --allow-run-as-root option to your cmd line. However, we reiterate our strong advice against doing so - please do so at your own risk. 这个权限怎么打开 |
6楼2015-08-15 12:35:08
7楼2015-08-15 12:53:34
Phony-Silvia
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8楼2015-08-15 13:06:09
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