[CPMD-list] Ultra pseudo-potential question & problem compile on ibm with 64bit

SeungBum Suh sbsuh at csm50.postech.ac.kr
Fri Aug 16 08:39:08 CEST 2002


Dear All,

I have two question.

1. I heard that there is problem in CPMD doing MD simulation with ultra soft pseudo-potential.
Is the error corrected in the new version 3.5.2 fully?

2. I compiled CPMD in ibm p690 with MPI & 64bit mode.
With 32bit mode, It does not have any problem. 
But with 64bit mode, It write core with 'ERROR: 0031-250  task 0: Segmentation fault'.
I think there is problem in memory.F.

Thanks in advance.

SeungBum Suh



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