[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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