HI,
Leap doesn't run on GPU only PMEMD runs on GPU.
Did you set your environment variables correctly??
try typing this before you open leap
source <path_to_amber/amber.sh for bash
or
source <path_to_amber/amber.csh for csh
Best Regards
Elvis Martis
Mumbai, INDIA.
________________________________________
From: $BJ}zx(B <201231150007.mail.bnu.edu.cn>
Sent: 28 July 2017 10:12
To: amber.ambermd.org
Subject: [AMBER] question about the error when I start up the xleap
Dear sir:
I am a student from Beijing Normal University. I have some questions when I used AMBER 16 on a GPU "Sugon W580-G20$B!I(B as follows:
When I start up the XLeaP with typing this:"$AMBERHOME/bin/xleap -s -f",
it then showed that:"/usr/lib/amber16/bin/xaLeap: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory".
So how can I do with it? Thanks.
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Received on Thu Jul 27 2017 - 22:00:05 PDT
