[gmx-users] GROMACS-3.3.2 on BG/L

2007-10-04 Thread Ivano Eberini
Dear all, we have been trying to compile GROMACS-3.3.2 on a BG/L with blrts_XL compilers. These are the configure options we used: ./configure MPICC=mpixlc MPIF77=mpixlf --program-suffix=_mpi_s -- prefix=$HOME/bin/gromacs-3.3.2 --without-x --with-fft=fftpack -- enable-fortran --enable-mpi

Re: Patchfile? Re: [gmx-users] gromacs 3.3.2

2007-09-30 Thread David van der Spoel
Allen Smith wrote: In message <[EMAIL PROTECTED]> (on 30 September 2007 22:09:21 +0200), [EMAIL PROTECTED] (David van der Spoel) wrote: Hi, it is my pleasure to let you all know that 3.3.2 is now available for download from the usual source: http://www.gromacs.org and ftp://ftp.gromacs.org

Patchfile? Re: [gmx-users] gromacs 3.3.2

2007-09-30 Thread Allen Smith
In message <[EMAIL PROTECTED]> (on 30 September 2007 22:09:21 +0200), [EMAIL PROTECTED] (David van der Spoel) wrote: >Hi, > >it is my pleasure to let you all know that 3.3.2 is now available for >download from the usual source: http://www.gromacs.org and >ftp://ftp.gromacs.org Will a patch be av

[gmx-users] gromacs 3.3.2

2007-09-30 Thread David van der Spoel
Hi, it is my pleasure to let you all know that 3.3.2 is now available for download from the usual source: http://www.gromacs.org and ftp://ftp.gromacs.org It contains a lot of small bug fixes. Cheers, -- David van der Spoel, Ph.D. Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala