Szilárd -
First, many thanks for the reply.
Second, I am glad that I am not crazy.
Ok so based on your suggestions, I think I know what the problem is/was.
There was a sander process running on 1 of the CPUs. Clearly GROMACS was
trying to use 4 with "Using 4 OpenMP thread". I just did not catch
Good afternoon -
I recently installed gromacs-4.6 on CentOS6.3 and the installation went
just fine.
I have a Tesla C2075 GPU.
I then downloaded the benchmark directories and ran a bench mark on the
GPU/ dhfr-solv-PME.bench
This is what I got:
Using 1 MPI thread
Using 4 OpenMP threads
1 GPU de
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