[gmx-users] gromacs with icc and ifort

DimitryASuplatov genesup at gmail.com
Sun Jun 1 11:17:57 CEST 2008


Hello everybody,

I am trying to compile gromacs 3.3.3 with fftw 3.0.1 on Pentium 4 with
intel icc 10.1 and intel fortran 10.1

I set 

export ICC=/opt/intel/cc/10.1.012/bin/icc
source /opt/intel/cc/10.1.012/bin/iccvars.sh

export IFORT=/opt/intel/fc/10.1.012/bin/ifort
source /opt/intel/fc/10.1.012/bin/ifortvars.sh

export CC=$ICC
export F77=$IFORT
export LINKER=$IFORT

When I run configure script I get this message

configure: WARNING: *** Couldn't figure out how to link C and Fortran;
switching to --disable-fortran.

Although I can continue with compilation fortran will be disabled. 

Could you give me a tip on what am I doing wrong? 
Thank you very much!
SDA




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