[交流] 【求助】forrtl: error (78): 怎么回事？ 已有5人参与

[zhuqx_hp@node1 vasp]$ /usr/bin/mpirun -np 4 /home/bin/vasp.openmpi
running on 1 nodes
distr: one band on 1 nodes, 1 groups
running on 1 nodes
running on 1 nodes
distr: one band on 1 nodes, 1 groups
distr: one band on 1 nodes, 1 groups
vasp.4.6.28 25Jul05 complex
POSCAR found : 3 types and 20 ions
vasp.4.6.28 25Jul05 complex
POSCAR found : 3 types and 20 ions
running on 1 nodes
distr: one band on 1 nodes, 1 groups
vasp.4.6.28 25Jul05 complex
POSCAR found : 3 types and 20 ions
vasp.4.6.28 25Jul05 complex
POSCAR found : 3 types and 20 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
LDA part: xc-table for Ceperly-Alder, standard interpolation
LDA part: xc-table for Ceperly-Alder, standard interpolation
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
POSCAR, INCAR and KPOINTS ok, starting setup
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
WARNING: wrap around errors must be expected
WARNING: wrap around errors must be expected
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 5
FFT: planning ... 5
FFT: planning ... 5
reading WAVECAR
reading WAVECAR
reading WAVECAR
FFT: planning ... 5
reading WAVECAR
LAPACK: Routine ZPOTRF failed! 67
-----------------------------------------------------------------------------
It seems that [at least] one of the processes that was started with mpirun did not invoke MPI_INIT before quitting (it is possible that more than one process did not invoke MPI_INIT -- mpirun was only notified of the first one, which was on node n0).
mpirun can *only* be used with MPI programs (i.e., programs that invoke MPI_INIT and MPI_FINALIZE). You can use the "lamexec" program to run non-MPI programs over the lambooted nodes.
-----------------------------------------------------------------------------
forrtl: error (78): process killed (SIGTERM)
forrtl: error (78): process killed (SIGTERM)
forrtl: error (78): process killed (SIGTERM)

Explanation: A host (here k07) has a problem so that login attempts by the SGE cannot success anymore. Please contact the system manager.

What MPI implementation do you use? Does this code work correctly when compiled with other compiler?

FOR$IOS_SIGTERM. The process received the signal SIGTERM. Determine source of this software termination signal (described in signal(3) ).

Originally posted by gleerat at 2010-05-25 17:39:42:

这个不大可能，因为这个软件原来一直在用，并行的VASP和MPI都没有听说什么问题，我就是在ld.so.conf中改了一下数学库的链接。而且，昨天我测试的时候还没有任何问题呢（虽然不能确定一定是并行，但是从测试的时 ...

Originally posted by cenwanglai at 2010-05-25 14:44:58:
可能并行软件没有安装好,或者编译的时候没有设置对.看起来是同时运行几个串行进程.

Originally posted by 锐利的碎片 at 2010-05-25 17:56:44:

改i数学库干嘛，vasp连接的有些是动态库。