hi, On Wednesday 08 February 2006 12:18, Mathias Weigt wrote: > Hello! > > I don't know whether to file a bug report or not. First I'd like to hear > some suggestions. > I'm pretty desperate now. > > I cannot get gromacs to run with PME enabled (which requires fftw) on > gentoo. > If I turn off PME the job runs. > > I tried nearly all combinations of fftw (2.1.5, 3.0, 3.1) and also the > two latest gromacs versions (3.2.1-r1, 3.3, 3.3-r1 from bugzilla). > I turned off mpi, sse, 3dnow and resetted CFLAGS to "-O2 -march=i686" > (also on fftw) but nothing gives me a working gromacs :-( > I also tried the (slow) built-in fftpack - same result: gromacs stops > after some steps (sometimes with segfault) > I used gcc (GCC) 3.4.5 (Gentoo 3.4.5, ssp-3.4.5-1.0, pie-8.7.9). > > Did somebody of got gromacs running with PME on gentoo? > The same job runs with the original gromacs-3.2.1-rpms installed on a > SUSE-9.3 system.
i`m working sometimes with gromacs, here it works without problems, i`ve tested in the past on gentoo: 3.2.1 with fftw 2.1.5 (with mpich) 3.3 with fftw 3.0.1 (without mpich) no special optimaztion things My own systems run without problems, also the d.lzm benchmark (included in gromacs benchmark suite) and pme enable works without problems. Linux karpfen 2.6.15-ck3 #1 PREEMPT Mon Feb 6 18:01:33 GMT 2006 i686 AMD Athlon(tm) XP 2400+ AuthenticAMD GNU/Linux CHOST="i686-pc-linux-gnu" CFLAGS="-march=athlon-xp -O3 -pipe -fomit-frame-pointer" (gcc version 3.4.5 (Gentoo 3.4.5, ssp-3.4.5-1.0, pie-8.7.9) What does the log file say? Does it regconze your cpu, and have you started benchmark suite on this system or your own systems. > > Mathias Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- -- [email protected] mailing list
