Alterations to the examples to make them work

Author: jimboid

examples/multiple_jobs/different_applications/job.conf

@@ -2,43 +2,43 @@
 resource = Archer
 maxtime = 00:15
 cores = 24
-polling-frequency = 60
-staging-frequency = 120
+polling-frequency = 30
+staging-frequency = 60
 executable = pmemd.MPI
 executableargs = -i example.in -c example.rst -p example.top -o example.out
 
 [gromacs_s]
 resource = Archer
 maxtime = 00:15
 cores = 24
-polling-frequency = 60
-staging-frequency = 120
-executable = mdrun_mpi
-executableargs = -deffnm example
+polling-frequency = 30
+staging-frequency = 60
+executable = gmx
+executableargs = mdrun -deffnm example
 
 [gromacs_d]
 resource = Archer
 maxtime = 00:15
 cores = 24
-polling-frequency = 60
-staging-frequency = 120
-executable = mdrun_mpi_d
-executableargs = -deffnm example
+polling-frequency = 30
+staging-frequency = 60
+executable = gmx
+executableargs = mdrun -deffnm example
 
 [namd]
 resource = Archer
 maxtime = 00:15
 cores = 24
-polling-frequency = 60
-staging-frequency = 120
+polling-frequency = 30
+staging-frequency = 60
 executable = namd2
 executableargs = example.in > example.out
 
 [lammps]
 resource = Archer
 maxtime = 00:15
 cores = 24
-polling-frequency = 60
-staging-frequency = 120
+polling-frequency = 30
+staging-frequency = 60
 executable = lmp_xc30
 executableargs = -i example.in -sf opt

examples/readme.rst

@@ -89,6 +89,12 @@ Change into 'longbow-examples/replicate_job' and run:
 
 longbow --verbose --replicates 5 namd2 example.in
 
+or for SMP builds (NAMD v2.12+)*:
+
+longbow --verbose --replicates 5 namd2 +ppn 23 +pemap 1-23 +commap 0 example.in ">" example.out
+
+*The parameters "cores" and "corespernode" must be set to "1" in your hosts.conf
+
 Multi-Job Example
 *****************