[Pw_forum] Running problem on HP-COMPAQ-APHA machine!
Adrain Zhou
adrainzhou at yahoo.com.cn
Thu Aug 19 08:22:20 CEST 2004
Dear all,
I compiled pwscf on HP-COMPAQ-APHA successfully. But I met the problem when running,
!. The pwscf stops here.
G cutoff = 647.4808 ( 40801 G-vectors) FFT grid: ( 54, 45, 36)
nbndx = 12 nbnd = 3 natomwfc = 9 npwx = 2584
nelec = 2.00 nkb = 8 ngl = 5595
warning: negative or imaginary core charge -0.000002 0.000000
Initial potential from superposition of free atoms
prun: /home/564/axd564/bin/pw.x (host sc64 process 0 pid 600317) killed by signal 6
2. There are some other error information:
forrtl: error (73): floating divide by zero
forrtl: error (73): floating divide by zero
0: __FINI_00_remove_gp_range [0x3ff81a21488]
1: __FINI_00_remove_gp_range [0x3ff81a2a200]
2: __FINI_00_remove_gp_range [0x3ff800d9c30]
0: __FINI_00_remove_gp_range [0x3ff81a21488]
1: __FINI_00_remove_gp_range [0x3ff81a2a200]
2: __FINI_00_remove_gp_range [0x3ff800d9c30]
3: potinit_ 3: potinit_ [potinit.f90: 162, 0x12011b328]
[potinit.f90: 162, 0x12011b328]
4: init_run_ 4: init_run_ [init_run.f90: 38, 0x1200c5028]
5: pwscf_ [init_run.f90: 38, 0x1200c5028]
5: pwscf_ [pwscf.f90: 88, 0x12002fae4]
6: main [pwscf.f90: 88, 0x12002fae4]
6: main [for_main.c: 203, 0x12022707c]
7: __start [0x12002f728]
[for_main.c: 203, 0x12022707c]
7: __start [0x12002f728]
prun: no core file for job 565813 in /local/core/rms/565813
Could anybody please tell me what is wrong with it? Many thanks!
Regards,
Adrain
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