[gmx-users] RH80 upgrade problem - partial resolution

Luciane Vieira de Mello mello at cenargen.embrapa.br
Fri Feb 28 21:47:04 CET 2003


We've partially sorted out the incompatibility problems that we had after
RH7.2->8.0 upgrade.  For the benefit of other users what de did was this

1. deleted the gromacs installed from rpms

 1015  rpm -ev gromacs-mpi-3.1.4-1
 1016  rpm -ev gromacs-3.1.4-1

2. installed the devel rpms (I think this is necessary for conventional
compliation - could be wrong)

 1030  rpm -ivh fftw-devel-2.1.3-2.i386.rpm
 1031  rpm -ivh fftw-lammpi-devel-2.1.3-2.i386.rpm

3. deleted the lam version that came from RH8.0.  I had to delete the
fftw-lammpi installations first.

 1049  rpm -ev fftw-lammpi-devel-2.1.3-2
 1050  rpm -ev fftw-lammpi-2.1.3-2
 1051  rpm -ev lam-6.5.6-8

4. installed the slightly older lam and reinstalled the fftw-lammpi

 1052  rpm -ivh lam-6.5.4-usysv.1.i386.rpm
 1054  rpm -ivh fftw-lammpi-2.1.3-2.i386.rpm
 1055  rpm -ivh fftw-lammpi-devel-2.1.3-2.i386.rpm

5. compiled gromacs source

 1058   ./configure --enable-float --enable-type-prefix --enable-mpi
 1059  make
 1060  make install
 1061  make distclean
 1062   ./configure --enable-type-prefix --enable-mpi
 1063  make
 1064  make install

*Apparently* all went well, but when I came to try to set the MD going on
2 processors of the server I found that there was no mdrun_mpi!  This
seems weird since I used the --enable-mpi flag with configure.

How can I get an mdrun_mpi from conventional compilation?!

Thanks in advance


|                  Dra. Luciane Vieira de Mello Rigden                    |
| e-mail: mello at cenargen.embrapa.br                                       |
| Embrapa Recursos Geneticos e Biotecnologia                              |
| Parque Estacao Biologica           |  http://www.cenargen.embrapa.br    |
| PqEB - Final - Av. W3 Norte        |  Phone:  +55 (61)448-4741          |
| 70770-900, Brasilia-D.F.-BRAZIL    |  Fax:    +55 (61)340-3658          |

More information about the gromacs.org_gmx-users mailing list