[gmx-users] Re. Re: How to complie gromacs on sgi Altix450? (Martin Hoefling)

石子枫 lv-wenping at live.cn
Mon Sep 14 14:01:32 CEST 2009

Hello, Martin
 Thanks for your help.
 I compiled the fftw3 like this :
 export CPPFLAGS=-I/opt/mpich2/include
 export LDFLAGS=-L/opt/mpich2/lib
 ./configure --prefix=/opt/fftw3 --enable-float --enable-mpi
 make install
 for gromacs :
 export CPPFLAGS='-I/opt/mpich2/include -I/opt/fftw3/include'
 export LDFLAGS='-L/opt/mpich2/lib -L/opt/fftw3/lib'
 ./configure --prefix=/opt/gmx45 --enable-mpi --disable-float --enable-shared --program-suffix=_mpi
 make install
 And mpt(A version of mpich2 for SGI ) and openmp have been installed  in the system.
 But I don't kown how to use them,because I can't find the mpicc or mpif90  in these '/bin' directory.
 Thanks for your help
 Wenping Lv
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