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