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Siyoung Kim

  • Registered on: 08/14/2019
  • Last connection: 09/11/2019

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09/04/2019

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"
0.000000 -6837739.000000
2...

08/14/2019

03:27 AM GROMACS Bug #3058 (Feedback wanted): Error when using a large PME grid on a GPU
Hi,
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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