Can you send me your input files?
-----Original Message-----
From: Qizhi Cui [mailto:Qizhi.Cui.bri.nrc.ca]
Sent: Tuesday, August 10, 2010 08:40
To: AMBER Mailing List
Subject: [AMBER] restrain group specification for GPU
Hello Amber GPU users,
I tried to run pmemd.cuda at MD heating step where I have two residues
groups to be restrained as following:
Hold the solute fixed
20.0
RES 1 848
RES 937 939
END
END
The first group is for solute. The second group is for three crystal water.
After submitting the job, I immediately got the following error
messages and the program stopped.
Error: unspecified launch failure launching kernel kPMEGetGridWeights
or
Error: unspecified launch failure launching kernel kNLClearCellBoundaries
If I only keep the first restrain group, there is no problem. I wonder
if someone have similar experience and what cause the problem.
Thanks,
Qizhi
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Received on Tue Aug 10 2010 - 10:00:03 PDT
