- 07:26 PM GROMACS Bug #3058: Error when using a large PME grid on a GPU
- Szilárd Páll wrote:
> Please upgrade to the latest version, this should work in the 2019 release.
Yes, it works i...
- 07:25 PM GROMACS Bug #3073 (New): Total potential energy goes crazy, but I don't know why this happens.
- Hi, the total potential energy goes +nan as follows:
@ s0 legend "Potential"
- 03:27 AM GROMACS Bug #3058 (Feedback wanted): Error when using a large PME grid on a GPU
My system is quite large (1M atoms) and I am trying to run a simulation on the brand-new GPU cluster (4 Nvidi...
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