Hi!
I was just wondering if anyone has succesfully managed to install LAMMPS and run it on all available processors (ie more than one...) on the new macs/imac with i5 processors recently. I've been trying with LAMMPS (25/9), Openmpi 1.4.3, fftw-2.1.5 and gfortran-lion.tar... I keep getting alot of error messages I do not understand...
Any help is appreciated.
/Michael
Hi!
I was just wondering if anyone has succesfully managed to install LAMMPS
and run it on all available processors (ie more than one...) on the new
macs/imac with i5 processors recently. I've been trying with LAMMPS
(25/9), Openmpi 1.4.3, fftw-2.1.5 and gfortran-lion.tar... I keep
getting alot of error messages I do not understand...
what error messages?
have you been able to compile lammps on a mac before?
have you tried to compile a minimal version?
axel.
Dear Axel and Tuan
Please see the attached file for the error messages. The last part of it is displayed below. I used lammps-5Aug11, without modifying any Makefiles, libraries, etc (which may be the problem?). Unfortunately Im a newbie on these things and my experience with Lammps and the shell environment is sort of limited... However, I managed to compile lammps with make in src/MAKE and make mac in /src without a problem, but then it only runs on one processor...
Tuan: Which lammps version are you using and did you modify and Makefiles, create any libraries etc? Did you get lammps to run on more than one processor? Which mpi, fft, fortran package are you using?
Best regards
Michael
pair_lj_gromacs_coul_gromacs.o pair_lj_smooth.o pair_lubricate.o pair_meam.o pair_morse.o pair_morse_gpu.o pair_morse_opt.o pair_omp_gpu.o pair_peri_lps.o pair_peri_pmb.o pair_reax.o pair_rebo.o pair_resquared.o pair_resquared_gpu.o pair_soft.o pair_sw.o pair_table.o pair_tersoff.o pair_tersoff_zbl.o pair_yukawa.o pair_yukawa_colloid.o pppm.o pppm_gpu.o pppm_gpu_double.o pppm_gpu_single.o pppm_tip4p.o prd.o random_mars.o random_park.o read_data.o read_restart.o region.o region_block.o region_cone.o region_cylinder.o region_intersect.o region_plane.o region_prism.o region_sphere.o region_union.o remap.o remap_wrap.o replicate.o respa.o run.o set.o special.o tad.o temper.o thermo.o timer.o universe.o update.o variable.o velocity.o verlet.o write_restart.o xdr_compat.o -lgpu -lreax -lpoems -lmeam -lfftw -lcudart -lcuda -lifcore -lsvml -lompstub -limf -lifcore -lsvml -lompstub -limf -lstdc++ -o ../lmp_openmpi
ld: warning: directory not found for option '-L/usr/local/cuda/lib64'
ld: warning: directory not found for option '-L/opt/intel/fce/10.0.023/lib'
ld: library not found for -lgpu
collect2: ld returned 1 exit status
make[1]: *** [../lmp_openmpi] Error 1
make: *** [openmpi] Error 2
Tuan A. Tran skrev 2011-10-04 07:49:
What exactly your errors? I got it working without any problem although I did not use version on 25/09.
Axel Kohlmeyer skrev 2011-10-04 07:40:
lammps-5Aug err msg.rtf (146 KB)
Dear Axel and Tuan
Please see the attached file for the error messages. The last part of it is
displayed below. I used lammps-5Aug11, without modifying any Makefiles,
libraries, etc (which may be the problem?). Unfortunately Im a newbie on
these things and my experience with Lammps and the shell environment is sort
of limited... However, I managed to compile lammps with make in src/MAKE and
make mac in /src without a problem, but then it only runs on one
processor...
first off, please update to the latest version.
and then why don't you start by uninstalling the GPU, REAX, POEMS,
and MEAM packages, then do a make clean and then try compiling again.
all of the errors listed are related to one of those add-on packages with
local libraries. if you don't use them, then you don't have to try making
them compile, and if you do, then lets first try to get the rest compiled
and tested and then move forward to the more complicated stuff.
axel
Michael,
Please try with attached make file. I have successfully build using it.
Good luck!
Rajib
Makefile.mac_mpi (2.59 KB)