----- Original Message ----- From: [EMAIL PROTECTED] Date: Monday, February 11, 2008 3:18 pm Subject: [gmx-users] GMX compilation with "--enable-threads" To: gmx-users@gromacs.org
> Hello, everyone! > I try to install gromacs 3.3.1 with threads enabled. But it > fails and > gives the following info: Threads are not functional until GROMACS 4.0 > export MPICC=/opt/mpich2/bin/mpicc > ./configure --prefix=/opt/gmx --enable-float --without-x -- > enable-threads > --with-fft=fftw3 --enable-mpi CPPFLAGS=-I/opt/fftw3/include > LDFLAGS=-L/opt/fftw3/lib > When "--enable-threads" is omited,the compilation > seems to be fine but > "mdrun" can not run in parallel. You'll need to supply more information here. Mark
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