Dear all
I have one job with NPT input mdin file but it ends without error in cuda versio (pmemd.cuda_SPDP.MPI) but it works fine with pmemd.MPI
here are end lines from cuda job without error:
| Conditional Compilation Defines Used:
| DIRFRC_COMTRANS
| DIRFRC_EFS
| DIRFRC_NOVEC
| MPI
| PUBFFT
| FFTLOADBAL_2PROC
| BINTRAJ
| CUDA
| Largest sphere to fit in unit cell has radius = 63.294
Please suggest
thanks
JIo
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Received on Fri Jan 03 2014 - 15:30:02 PST
