Notes for installation of lammps on Mac OS X 10.7

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1

Hi all,

I described notes for installation of lammps on Mac OS X 10.7 (lion).
In these notes, I made a lammps execution file that includes user packages
except ones for GPU and CUDA.
This execution file also corresponds to MPI parallel processing.

I uploaded two notes to Scribd as follows:
(1) a note for lammps-14Jan12 or later.
http://www.scribd.com/doc/78042992/Lammps-Installation-on-OS-X-10-7-version-2
(2) a note for lammps-21Dec11 or earlier.
http://www.scribd.com/doc/61166668/Lammps-Installation-on-OS-X-10-7

These notes may be available for OS X 10.6 or earlier.

regards,
chibaf

2

Hi,

I am trying to get the latest LAMMPS (10Apr2012) on Lion. I was trying to follow your instruction (version2) and got stuck with building ATC. First off, there was no mph.h in lib/atc which is referred in LammpsInterface.cpp. So I copied src/STUBS/mpi.h here. Next, I included two new lines in Matrix.cpp and changed Makefile.lammps as advised by you. I am copying the output below while trying to make the Makefile.g++

Lubdhak:atc nasril$ make -f Makefile.g++
g++ -O -g -I…/…/src -DMPICH_IGNORE_CXX_SEEK -c ATC_HardyKernel.cpp
g++ -O -g -I…/…/src -DMPICH_IGNORE_CXX_SEEK -c ATC_Transfer.cpp
In file included from MatrixLibrary.h:7:0,
from PhysicsModel.h:19,
from ATC_Transfer.h:12,
from ATC_Transfer.cpp:2:
DiagonalMatrix.h: In instantiation of ‘DiagonalMatrix& DiagonalMatrix::operator=(T) [with T = double]’:
ATC_Transfer.cpp:994:10: required from here
DiagonalMatrix.h:360:3: error: ‘set_all_elements_to’ was not declared in this scope, and no declarations were found by argument-dependent lookup at the point of instantiation [-fpermissive]
DiagonalMatrix.h:360:3: note: declarations in dependent base ‘Matrix’ are not found by unqualified lookup
DiagonalMatrix.h:360:3: note: use ‘this->set_all_elements_to’ instead
make: *** [ATC_Transfer.o] Error 1

By the way, my mpich2version : 1.4.1p1

Please help.

Best,

Tamoghna

3

mpi.h is a system file in your MPI installation. So you should point
to it, not copy it into the LAMMPS dirs. That is what
the /lib/atc/Makefile.lammps SYSINC variable is for if you
need it.

Other than editing that file, I don't know of any other issues with
building the ATC package. Maybe Reese or Jeremy can comment.
If code edits are needed for portability, we should make these changes in the
distro.

Steve

4

Hi Tamoghna, you shouldn't have to copy the mpi library or header from stubs over. If for some reason they're not being found, you should look at the make file and add the appropriate linker commands. The error you're getting is very bizarre. We have built lammps/atc with the most current version of the Apple developer tools and it works, albeit not on 10.7. I'd suggest making sure g++ is pointing to where you think it should be as a first step.
Jeremy