Atoms moving too fast only with CUDA version.

Date: Wed Jun 27 2012 - 00:37:55 CDT

Dear all,
     I am trying to run an equilibration using NAMD 2.9-CUDA on Linux. However,
I keep getting "Atoms moving too fast error".I increased the minimization
upto 50000 steps but it doesn't work. But when I tried to run the exact
same config file using the non-CUDA version it ran without any error even
at 10000 minimization steps.And the error is reproducible. Can someone
please tell me what may have gone wrong.



सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
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दूरभाष/EPABX :0172 6665 201-202

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