Hello,
My name is Pierre-Antoine Geslin and I am studying Materials Science in France. I would like to install lammps on my PC to learn molecular dynamics and run some simulations. The problem is I am not so comfortable with Makefiles and I have difficulties to install lammps. I work on Ubuntu 9.04. and here is my Make file for the moment :
# linux = RedHat Linux box, Intel icc, MPICH2, FFTW
SHELL = /bin/sh
# System-specific settings
CC = gcc
CCFLAGS = -O -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK
DEPFLAGS = -M
LINK = gcc
LINKFLAGS = -O
USRLIB = -lfftw -lmpich
SYSLIB = -lpthread -lstdc++
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
I have already changed the compiler to gcc because I did not want to spend a lot of time installing icc. I hope icc is not essential to compile LAMMPS...
Now I have this error appearing :
make[1]: entering directory « /mnt/Media/StagePologne/PROGRAMs/Simulations/lammps-14Jul09/src/Obj_linux »
Makefile:40: angle_charmm.d: No such file or directory
Makefile:40: angle_cosine.d: No such file or directory
... (and so on for other .d files)
Makefile:40: verlet.d: No such file or directory
Makefile:40: write_restart.d: No such file or directory
gcc -O -DFFT_FFTW -DLAMMPS_GZIP -DMPICH_IGNORE_CXX_SEEK -M write_restart.cpp > write_restart.d
write_restart.cpp:14:17: erreur: mpi.h : Aucun fichier ou dossier de ce type
make[1]: *** [write_restart.d] Erreur 1
make[1]: exiting directory « /mnt/Media/StagePologne/PROGRAMs/Simulations/lammps-14Jul09/src/Obj_linux »
make: *** [linux] Erreur 2
I do not understand this error, knowing that a file name "mpi.h" is in the directory STUBS... Do I have to move this mpi.h file to the current directory?
Thanking you in advance for your time and your answers,
Pierre-Antoine Geslin