Dear lammps developer/users,
We’ve been trying to use the latest version of lammps package on one of the teragrid sites ([email protected]…1870…69…).
I always encountered problems when using ewald sum for long range electrostatic interactions, it worked fine without ewald though. The help staff there told me no one complained about running lammps there before, but they also observed the same error using my input files. However, I’ve tested my input files on our own cluster without any problems. I’ve attached my input files and the Makefile which was used to build lammps on steele.
I would really appreciate if anybody could test the case and advise me what went wrong here?
btw, the libraries used there are also listed below:
libmpich.so.1.1 => /apps/rhel5/mpich2-1.1.1p1/64/nemesis-intel-11.1.038/lib/libmpich.so.1.1 (0x00002b6941df1000)
libsfftw.so.2 => /apps/rhel5/fftw-2.1.5/mpich2-intel/lib/libsfftw.so.2 (0x00002b6942196000)
Thank you very much.
in.graph (1.08 KB)
lammps_GRA_1 (422 KB)
Makefile.rhel5 (2.38 KB)