[Pw_forum] FPMD segmentation fault

[W. YU]

Dear CPMD users,

I tried example21 with CPMD for H2O. The complilation
with ifort gives no erro. But run_example terminated
with the errer message quoted below:


Running the calculation with 32 H2O
molecules...forrtl:severe(174):SIGSEGV,segmentation
fault occurred. When I tried the same example with the
FPMD 2.04 version, the calculation stopped normally
although with somewhat different contents in the
output file. Can anybody help me with this problem?

Thanks!

W. YU   


	
		
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