[gmx-users] pdb2gmx illegal instruction (core dumped)
David van der Spoel
spoel at xray.bmc.uu.se
Tue Mar 21 17:19:07 CET 2006
Dongsheng Zhang wrote:
> Dear David,
> Thank you very much for your quick reply. The machine is IBM. Then,
> could you please tell me how to fix it? Thanks again.
you optimized it for e.g. power2 processor and run it on power4. You may
have to recompile everything except mdrun without optimization. Check
the mailing list archives for more tips.
> Best Wishes!
> On Tue, 2006-03-21 at 17:00 +0100, David van der Spoel wrote:
>> Dongsheng Zhang wrote:
>>> Dear All,
>>> I want to use gromacs in research computing center in my school. When I
>>> used pdb2gmx as
>>> pdb2gmx -f Ace5AlaNac -o Ace5AlaNac -p Ace5AlaNac -ignh -ter
>>> it gave me an error message as follows,
>>> illegal instruction (core dumped)
>> what kind of computer? this kind of stuff usually happens on IBM boxes.
>>> Could anyone give me a clue what is wrong? Thank you in advance!
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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