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Lanyuan Lu

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08/20/2010

11:22 PM GROMACS Bug #429: PME problem on BG/P
Created an attachment (id=516)
nb_kernel312_bluegene.lst
BG/P kernel lst file.

08/18/2010

07:50 PM GROMACS Bug #429: PME problem on BG/P
Hi,
I just tried the latest mpixlc version 9.0.0.9. The problem still exists.
Lanyuan
05:23 PM GROMACS Bug #429: PME problem on BG/P
Hi,
I just recompiled the code with the xlc version 9.0.0.8. But I got the same error with the new executable. I'm in...

08/13/2010

09:35 PM GROMACS Bug #429: PME problem on BG/P
Hi Mathias,
I modified the code as you suggested and it works!
After the modification and recompiling the code, I cou...

08/12/2010

09:07 PM GROMACS Bug #429: PME problem on BG/P
Hi Mathias,
I got information from the BG/P:
IBM XL C/C++ Advanced Edition for Blue Gene/P, V9.0
Version: 09.00.0000....

06/09/2010

05:21 PM GROMACS Bug #429: PME problem on BG/P
Hi,
My test results on my BG/P showed exactly the same behavior as Carsten's results.
a) Same error for lipid bilayer...

06/08/2010

01:01 AM GROMACS Bug #429: PME problem on BG/P
Created an attachment (id=459)
SPC water box
12:49 AM GROMACS Bug #429 (Closed): PME problem on BG/P
Hello,
I got a problem running Gromacs-4.0.7 on a BG/P cluster, which is believed due to the assembly loops and the ...

11/04/2009

11:58 PM GROMACS Bug #362: MD problem when use "nstlist=-1" option with tabulated potential
Dear Berk,
You're right. The problem is due to table-extension.
What did you mean by "Also note that rvdw has no effe...

11/03/2009

10:53 PM GROMACS Bug #362: MD problem when use "nstlist=-1" option with tabulated potential
Dear Berk,
Isn't the mass just 18.0 as that I defined in cg.top?
Thanks,
Lanyuan

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