Re: [AMBER-Developers] problems with latest cuda

From: Scott Le Grand <>
Date: Fri, 25 Mar 2011 09:00:39 -0700

I think I have a repro. Do you see a crash when you run JAC in MPI mode and increase the cutoff to 9 A?

-----Original Message-----
From: David A Case []
Sent: Wednesday, March 09, 2011 07:33
Subject: [AMBER-Developers] problems with latest cuda

Hi Scott, Ross:

I'm having problems with the git repo version of pmemd.cuda_DPDP. Before
getting to the first step, I get this error:

Error: unspecified launch failure launching kernel kReduceForces
cudaFree GpuBuffer::Deallocate failed unspecified launch failure

This happens on the "1AHO" test case I sent earlier (fairly small system,
12 A cutoffs, NPT). A more standard solvated protein, (90 Atoms, NVE, 8 Ang.
cutoff) seems to be OK. Also, the SPDP version seems OK for the 1AHO system,
but SPDP fails with the above message on another (larger) system, also with
big cutoffs and NPT.

Let me know if you want me to re-send the problem test case.


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