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

2007-11-28 Thread Tandia, Adama
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.

Thanks,

Adama

++
Adama Tandia
Modeling  Simulation
Corning INC
Corning, NY 14831 USA
Tel: 607 248 1036
Fax: 607 974 3405
www.corning.com

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

2007-11-28 Thread David van der Spoel

Tandia, Adama wrote:

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.

You can  make your life easier by using gcc instead. Fortran doesn't 
help on x86 or x86_64 chips.



Thanks,

Adama

++
Adama Tandia
Modeling  Simulation
Corning INC
Corning, NY 14831 USA
Tel: 607 248 1036
Fax: 607 974 3405
www.corning.com

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--
David.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  75124 Uppsala, Sweden
phone:  46 18 471 4205  fax: 46 18 511 755
[EMAIL PROTECTED]   [EMAIL PROTECTED]   http://folding.bmc.uu.se

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