On 25/03/2011 8:36 AM, Adam Herbst wrote:
Thank you all for your help! I ran
make distclean
and re-configured in the GROMACS source folder via
sudo ./configure --prefix=$SOFT --with-gsl --enable-threads
CFLAGS="$CFLAGS -I$SOFT/include" LDFLAGS="$LDFLAGS -L$SOFT/lib"
sudo make -j $NCPU
Thank you all for your help! I ran
make distclean
and re-configured in the GROMACS source folder via
sudo ./configure --prefix=$SOFT --with-gsl --enable-threads
CFLAGS="$CFLAGS -I$SOFT/include" LDFLAGS="$LDFLAGS -L$SOFT/lib"
sudo make -j $NCPU
sudo make install
where SOFT is the instal
On 24/03/2011 11:51 PM, Adam Herbst wrote:
Dear GROMACS users,
I successfully installed GROMACS 4.5.1 several months ago on a Mac Pro
with 12 CPUs, and the "mdrun" command (not "mpirun mdrun_mpi") allows
parallel simulations--it automatically uses multiple processors, while
the number of proce
Hi,
you could try a make clean, and then configure again with --enable-threads.
It seems for some reason you only build the serial mdrun version.
Carsten
On Mar 24, 2011, at 1:51 PM, Adam Herbst wrote:
> Dear GROMACS users,
> I successfully installed GROMACS 4.5.1 several months ago on a Mac P
Adam Herbst wrote:
Dear GROMACS users,
I successfully installed GROMACS 4.5.1 several months ago on a Mac Pro
with 12 CPUs, and the "mdrun" command (not "mpirun mdrun_mpi") allows
parallel simulations--it automatically uses multiple processors, while
the number of processors can be manually
Dear GROMACS users,
I successfully installed GROMACS 4.5.1 several months ago on a Mac Pro with
12 CPUs, and the "mdrun" command (not "mpirun mdrun_mpi") allows parallel
simulations--it automatically uses multiple processors, while the number of
processors can be manually specified as N with the fl
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