Question

schrodinger related problems with answer​

Answer 1

Answer:

We are having issues using Desmond on our workstation. Simulations run fine on one of our gpus ("Gpu0") but crash consistently on the other gpu ("gpu1" - which is also set up as the display gpu). Not sure if hardware issue or software/set up problem. I have attached screenshots of errors. Both gpus are visible to schrodinger. Similar issue on both schrodinger 2020-3 and 2019-1.

Ubuntu 20.04.1 LTS

2x GeForce RTC 2080

-nvcc returns:

nvcc: NVIDIA (R) Cuda compiler driver

Copyright (c) 2005-2019 NVIDIA Corporation

Built on Sun_Jul_28_19:07:16_PDT_2019

Cuda compilation tools, release 10.1, V10.1.243

Any suggestions to work out if this is a hardware or set-up problem?

Thanks,