VMD-L Mailing List

From: Chitrak Gupta (chgupta_at_mix.wvu.edu)
Date: Fri Sep 11 2015 - 08:26:42 CDT

Hi there!

I am working on the FFTK Bond optimization, and I got this error:

------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Pair interaction calculation is not supported in CUDA
version

Charm++ fatal error:
FATAL ERROR: Pair interaction calculation is not supported in CUDA version

------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Pair interaction calculation is not supported in CUDA
version

Charm++ fatal error:
FATAL ERROR: Pair interaction calculation is not supported in CUDA version

I verified the NAMD binary I selected was namd2 (which is the CPU version).
Is there some other setting to get it to use the CPU version?

Regards,
Chitrak.