[gmx-users] problem on a G3 (Gromacs 3.1 beta released)
David van der Spoel
spoel at xray.bmc.uu.se
Wed Feb 20 20:00:26 CET 2002
On Wed, 20 Feb 2002 nicolis at guideo.fr wrote:
>As I wrote you, I installed the beta 3.1 on a G4 MacOSX with no problem.
>But now I compiled on a G3 with the same version of MacOSX and I get an
>"illegal instruction" when running mdrun. I have no error with editconf,
>pdb2gmx, grompp and g_sas so I guess that this could be an altivec
>enhanced code problem. I had no such error with the beta prerelease
>VERSION 3.0.99-20011116 on the G3 nor the G4.
>The illegal instruction message appears just after the number of steps,
>when the first step should appear. I got the error for both steep and md
>(did not test the other integrators).
>I tried to recompile with --disable-ppc-altivec but with same result (I
>noticed however that the -faltivec option is still used after the
>--disable-ppc-altivec. Is this normal?)
Maybe the configure script generates a compiler flag that is G4 specific.
Maybe you can check the configure script or Makefiles. I have no such
machine here to check, but it seems from the configure script that there
is something like -mcpu=
>P.S. As for the g_sas, I downloaded the cvs tree and copied the dgsolv.dat in the top directory, g_sas works now, thank you.
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Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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