Hi, all!
Is are any who uses GMX in MPI mode under cygwin?
I'm trying to install it. Based on oldgromacs site and wiki I installed cygwin,
FFTW and LAM/MPI. Unfortunately I failed to install libaio and leaved it out.
But when configuring gromacs with
./configure --enable-mpi --disable-float --enable-sse2 --enable-shared
LDFLAGS='-L/usr/local/lib'
it returns
checking for mpicc... mpicc
checking whether the MPI cc command works... configure: error: Cannot compile
and link MPI code with mpicc
Alternatively I try "Quick and Dirty Installation" from wiki with openmpi,
where all is OK until Gromacs configuring with
./configure --prefix=$SOFT --enable-mpi --with-gsl
The end of return is
checking for mpxlc... no
checking for mpicc... no
checking for mpcc... no
checking for hcc... no
checking whether the MPI cc command works... configure: error: Cannot compile
and link MPI code with cc
Thanks in advance!
--
Regards,
Dmitri mailto:ddu...@ngs.ru
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