Re: [AMBER] CUDA version still not working

From: Ross Walker <>
Date: Thu, 18 Sep 2014 10:20:52 -0700

Looks like pmemd.cuda was compiled with nvcc v5.5 (looking for but the packages you show below are all cuda 6.5. So you
have version mismatches in your environment. Make sure AMBER is compiled
with the same version of nvcc as your environment (LD_LIBRARY_PATH,
CUDA_HOME etc) is setup to point to.

On 9/18/14, 1:39 AM, "Fabian Glaser" <> wrote:

>Hi all,
>We have updated all the following drivers on ReadHat 6.4 (see below), and
>still running pmemd.cuda I get a different error this time, sander works
>-bash-4.1$ pmemd.cuda -O -i -p RIT_6mol_h_wat.prmtop -c
>RIT_6mol_h_wat_eq5.rst -ref RIT_6mol_h_wat_eq5.rst -o
>RIT_6mol_h_wat_md1.out -x RIT_6mol_h_wat_md1.mdcrd -r
>pmemd.cuda: error while loading shared libraries:
>cannot open shared object file: No such file or directory
>Is this something known to you?
>Looking into different forums, our technical people don't find the
>specific library....
>Any ideas or suggestions?
>updated packages :
>HPC Support
>CIS - Technion
>Fabian Glaser, PhD
>Head of the Structural Bioinformatics section
>Bioinformatics Knowledge Unit - BKU
>The Lorry I. Lokey Interdisciplinary
>Center for Life Sciences and Engineering
>Technion - Israel Institute of Technology
>Haifa 32000, ISRAEL
>Tel: +972 4 8293701
>Fax: +972 4 8225153
>AMBER mailing list

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Received on Thu Sep 18 2014 - 10:30:03 PDT
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