Building lammps as a library

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1

Hello everybody,

i am trying to build lammps as a library, i was trying the simple driver application in the directory simple of lammps.
i compiled and build without errors the simplec and simplecpp driver with the LAMMPS library using a mpicc compiler.
so i typed

  1. mpicc -I/home/mylammp/lammps-12Oct11/src -c simple.c
    2.mpicc-L/home/mylammp/lammps-12Oct11/src simple.o
    -llmp_g++ -lfftw -lmpich -lpthread -lstdc++ -o simpleC

and till now works fine.

then i type mpirun to run simpleC

mpirun -np 4 simpleC 2 in.lj
give me these errors
elona@…436…'s password:
elona@…436…'s password:
elona@…436…'s password:
LAMMPS (12 Oct 2011)
0 - : Could not convert index 1275069445 into a pointer
The index may be an incorrect argument.
Possible sources of this problem are a missing “include ‘mpif.h’”,
a misspelled MPI object (e.g., MPI_COM_WORLD instead of MPI_COMM_WORLD)
or a misspelled user variable for an MPI object (e.g.,
com instead of comm).
[0] Aborting program !
[0] Aborting program!
p0_6668: p4_error: : 9039
p0_6668: (18.156335) net_send: could not write to fd=4, errno = 32
could anybody explain me this?
Thanks
elona

2

Hello everybody,
i am trying to build lammps as a library, i was trying the simple driver
application in the directory simple of lammps.
i compiled and build without errors the simplec and simplecpp driver with
the LAMMPS library using a mpicc compiler.
so i typed
1. mpicc -I/home/mylammp/lammps-12Oct11/src -c simple.c
2.mpicc-L/home/mylammp/lammps-12Oct11/src simple.o \
-llmp_g++ -lfftw -lmpich -lpthread -lstdc++ -o simpleC
and till now works fine.
then i type mpirun to run simpleC
mpirun -np 4 simpleC 2 in.lj
give me these errors
[email protected]...'s password:
[email protected]...'s password:
[email protected]...'s password:

this is not a LAMMPS problem, but an MPI setup problem.

have you tried running a simple MPI test program?
if you get that to work, you should be able to get
LAMMPS working, too.

axel.