Re: [AMBER] Multiple GPU imstallation of AMBER 18 error

From: Elvis Martis <>
Date: Thu, 23 Jan 2020 13:36:36 +0530

You will have to define CUDA_HOME as the error says. Install CUDA serial
./configure -cuda gnu
On Thursday, January 23, 2020, Sruthi Sudhakar <>

> Respected group members,
> Previously I have written a mail regarding the installation of GPU
> accelerated version of AMBER and was suggested to first do the single gpu
> installation at first. That installation was successful and jobs are
> running smoothly using pmemd.cuda. But now we want to do the parallel
> installation as well. Should we begin the installation from the beginning
> or just follow the next step from the manual, that is begin from
> ./configure -cuda -mpi -gnu
> When I continued with this step , I got the following error message:
> Error: CUDA_HOME is not set. This must point to your NVIDIA tools
> installation
> Configure failed due to the errors above!
> Please suggest how to proceed further.
> Thank you
> _______________________________________________
> AMBER mailing list

Best Regards
Elvis Martis
AMBER mailing list
Received on Thu Jan 23 2020 - 00:30:01 PST
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