diff --git a/examples/mdi/LATTE/README b/examples/mdi/LATTE/README index 1102bff720..8955ec1a75 100644 --- a/examples/mdi/LATTE/README +++ b/examples/mdi/LATTE/README @@ -32,6 +32,10 @@ cd latte/git 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 +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 @@ -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 : \ -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 lmp_mpi -mdi \