[gmx-users] Compile Gromacs-3.3.2 on HP xxxw9300 Workstation: AMD64 Opteron with Linux

Tandia, Adama TandiaA at Corning.com
Wed Nov 28 22:47:04 CET 2007

Dear ALL;

I'm trying to upgrade to GMX-3.3.2 with icc, ifort and mpich2. I used the following command with configure:
./configure --prefix=$HOME/GMX332 --enable-mpi --enable-double --enable-fortran ""F77=ifort" "CC=icc"

The compilation stops after couple of minutes and I get the followinfg error message:
nb_kernel_x86_64_sse2.c:98: error: `eNR_NBKERNEL_NR' undeclared here (not in a function)

Anyone has an idea of what is going on? I searched the user-list but did not find anything like this.



Adama Tandia
Modeling & Simulation
Corning INC
Corning, NY 14831 USA
Tel: 607 248 1036
Fax: 607 974 3405

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