[AMBER] cuda job not working

From: Jio M <jiomm.yahoo.com>
Date: Fri, 3 Jan 2014 15:26:46 -0800 (PST)

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
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