[AMBER] AMBER 22 installation with CUDA support

From: SATYAJIT KHATUA via AMBER <amber.ambermd.org>
Date: Sat, 3 Sep 2022 23:07:06 +0530

Dear Users,

I am installing AMBER22 in our departmental CentOS 7 cluster, to which I
don't have root access. Till now, I have been using every compiler/app only
by installing them in my user directory, and the installation is successful
for only the serial and MPI versions of AMBER. I have used CUDA-9.2 with
GCC-7.5 compiler for the GPU-supported AMBER installation. But, the
installation was stuck after some time with the following error:

*[ 69%] Building NVCC (Device) object
Warning (dev) at
Syntax Warning in cmake code at column 79 Argument not separated from
preceding token by whitespace.This warning is for project developers. Use
-Wno-dev to suppress it.nvcc fatal : Stray '"' characterCMake Error at
(message): Error generating
Error 1make[1]: ***
Error 2make: *** [all] Error 2*

CUDA toolkit was also installed as a user, and the appropriate cudnn files
were copied to the include and lib64 directory of CUDA-9.2. Is this
anything associated with the CUDA installation which is not at the root?
How to solve this error? Any help will be appreciated.

With regards,
Satyajit Khatua,
Research Scholar,
Department of Chemistry,
IIT Kharagpur, Kharagpur-721302.
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Received on Sat Sep 03 2022 - 11:00:03 PDT
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