While running SANDER (AMBER6.0) on 4 CPU's, on SGI (R10000), I get
empty files with velocities if the program has been compiled with the
MACHINE file: 'Machine.sgi' or, simulation fails if the program has been
compiled with 'Machine.sgi_mpi'.
In the latter case, the error messages look like:
---------------------------------------------------------------
mpirun must now be used to launch all MPI applications
namelist read (nrun): variable not in namelist
apparent state: unit 5 named
/home/users/gj/SANDER/API_WT/DYN/dyn01-api_wt.inp
last format: namelist io
Unit 5 is a sequential formatted external file
*** Execution Terminated (119) ***
MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
MPI: aborting job
Killed
---------------------------------------------------------------
Any hint is welcome.
--
**************************************
Grzegorz Jezierski
Biophysics Department
Institute of Molecular Biology
Jagiellonian University
al. Mickiewicza 3, 31-120 Krakow,
Poland
phone: (48 12) 634 13 05 ext. 291
e-mail: gj_at_mol.uj.edu.pl
**************************************
Received on Fri Jun 16 2000 - 07:44:32 PDT
