ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

more edits

Browse Source
This commit is contained in:
Steve Plimpton
2022-07-22 17:47:46 -06:00
parent f370a9a58a
commit 822fae05a2
1 changed files with 8 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
examples/mdi/LATTE/README
View File

@ -32,6 +32,10 @@ cd latte/git
produces exe = LATTE_DOUBLE and libfile = liblatte_mdi.so produces exe = LATTE_DOUBLE and libfile = liblatte_mdi.so
the exe is not the non-MDI LATTE main, but a new one that goes into engine mode the exe is not the non-MDI LATTE main, but a new one that goes into engine mode
for building with fix latte:
cmake -D PKG_MOLECULE=yes -D PKG_LATTE=yes -D USE_INTERNAL_LINALG=on ../cmake
--------- ---------
copy lmp_mpi and LATTE_DOUBLE into this dir copy lmp_mpi and LATTE_DOUBLE into this dir
@ -55,6 +59,10 @@ mpirun -np 1 lmp_mpi -mdi "-name LMP -role DRIVER -method MPI" \
-log log.aimd.driver.mpi.1 -in in.mdi.aimd : \ -log log.aimd.driver.mpi.1 -in in.mdi.aimd : \
-np 1 LATTE_DOUBLE -mdi "-name LATTE -role ENGINE -method MPI" -np 1 LATTE_DOUBLE -mdi "-name LATTE -role ENGINE -method MPI"
mpirun -np 1 valgrind lmp_mpi -mdi "-name LMP -role DRIVER -method MPI" \
-log log.aimd.driver.mpi.1 -in in.mdi.aimd : \
-np 1 LATTE_DOUBLE -mdi "-name LATTE -role ENGINE -method MPI"
++ Run in plugin mode: 1 proc ++ Run in plugin mode: 1 proc
lmp_mpi -mdi \ lmp_mpi -mdi \