as long
as one of the GPUs is fully occupied, GROMACS cannot submit to any GPUs and
return an error with "cudaFuncGetAttributes failed: out of memory").
Best regards,
W
Forwarding messages ----
From: "bonjour899"
Date: 2020-02-23 11:32:53
To: g
|
+-+
Forwarding messages
From: "bonjour899"
Date: 2020-02-20 10:30:36
To: "gromacs.org_gmx-users@maillist.sys.kth.se"
Subject: cudaFuncGetAttributes failed: out of memory
Hello,
Hello,
I have encountered a weird problem. I've been using GROMACS with GPU on a
server and always performance good. However when I just reran a job today and
suddenly got this error:
Command line:
gmx mdrun -deffnm pull -ntmpi 1 -nb gpu -pme gpu -gpu_id 3
Back Off! I just backed up
Hello everyone,
This email is asking for some suggestions. Actually I'd like to conduct a kind
of steered molecular dynamics simulation like this:
Fixing one end of a protein, pulling the other end for a certain distance Δx
(can be for example 0.5 nm, 0.2 nm ...), relaxing the whole system for
Hello,
I'm trying to install gromacs-2019.4 with GPU support, but was always wrong.
I ran cmake as
cmake3 .. -DCMAKE_INSTALL_PREFIX=~/gromacs/gmx2019.4 -DGMX_BUILD_OWN_FFTW=ON
-DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DGMX_HWLOC=ON
It works but when installing always get error
