Re: [AMBER] CUDA test failure

From: Asma Abro <>
Date: Mon, 17 Dec 2018 14:33:42 +0000 (UTC)

Many thanks for all the suggestions. I will definitely check it out. 
Regards, Asma

  On Mon, Dec 17, 2018 at 7:10 PM, Pratul Agarwal<> wrote: In addition to the setting LD_LIBRARY_PATH as suggested by David Case, if you are using CUDA for other programs (or there are multiple users of AMBER on the system), you should ask your system administrator to add correct library path for CUDA (e.g. /usr/local/cuda/lib64 or /usr/local/cuda/lib) in /etc/ and run the ldconfig command. See man page of ldconfig for details.

Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)

On 12/17/2018 2:22 AM, Asma Abro wrote:


I have recently installed amber18 on my system with NVIDIA GTX1080.
Previously I have installed CUDA 10.0 but for Amber18, I installed CUDA9.0
as well.

PMEMD.CUDA installation is complete on the system but when I run the tests
by "make test", none of the tests is passed. Can anyone suggest what
possibly is wrong?

I am attaching my log and diff files with this email.

Best regards,

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Received on Mon Dec 17 2018 - 07:00:02 PST
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