From 75f1a4f3f0ef30989c6ce3b5932cd7a4c251fa58 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 4 Jan 2018 20:43:53 -0500 Subject: [PATCH] use filelink.o consistently, since filelink does not work with some compilers, e.g. nvcc --- doc/src/Section_packages.txt | 2 +- lib/latte/README | 15 ++++++++------- src/LATTE/README | 2 +- 3 files changed, 10 insertions(+), 9 deletions(-) diff --git a/doc/src/Section_packages.txt b/doc/src/Section_packages.txt index 912d371cd9..98028887ea 100644 --- a/doc/src/Section_packages.txt +++ b/doc/src/Section_packages.txt @@ -732,7 +732,7 @@ make lib-latte args="-b -m gfortran" # download and build in lib/latte and :pre Note that 3 symbolic (soft) links, "includelink" and "liblink" and -"filelink", are created in lib/latte to point into the LATTE home dir. +"filelink.o", are created in lib/latte to point into the LATTE home dir. When LAMMPS builds in src it will use these links. You should also check that the Makefile.lammps file you create is apporpriate for the compiler you use on your system to build LATTE. diff --git a/lib/latte/README b/lib/latte/README index bfa91e62cd..bdf67dd59c 100644 --- a/lib/latte/README +++ b/lib/latte/README @@ -28,14 +28,15 @@ Instructions: and finally, build the code via the make command % make -3. Create three soft links in this dir (lib/latte) +3. Create three symbolic links in this dir (lib/latte) E.g if you built LATTE in this dir: % ln -s ./LATTE-master/src includelink % ln -s ./LATTE-master liblink - % ln -s ./LATTE-master/src/latte_c_bind.o filelink + % ln -s ./LATTE-master/src/latte_c_bind.o filelink.o 4. Choose a Makefile.lammps.* file appropriate for your compiler - (GNU gfortran or Intel ifort) and copy it to Makefile.lammps. + (GNU gfortran with external BLAS, GNU gfortran with local liblinalg, + or Intel ifort with MKL) and copy it to Makefile.lammps. Note that you may need to edit Makefile.lammps for paths and compiler options appropriate to your system. @@ -49,7 +50,7 @@ with the LATTE package installed: % make g++ (or whatever target you wish) Note that if you download and unpack a new LAMMPS tarball, the -"includelink" and "liblink" and "filelink" files will be lost and you -will need to re-create them (step 3). If you built LATTE in this -directory (as opposed to somewhere else on your system), you will also -need to repeat steps 1,2,4. +"includelink" and "liblink" and "filelink.o" symbolic links will be +lost and you will need to re-create them (step 3). If you built LATTE +in this directory (as opposed to somewhere else on your system), you +will also need to repeat steps 1,2,4. diff --git a/src/LATTE/README b/src/LATTE/README index 2103074ad4..d7379f2461 100644 --- a/src/LATTE/README +++ b/src/LATTE/README @@ -17,7 +17,7 @@ Once you have successfully built LAMMPS with this package and the LATTE library you can test it using an input file from the examples latte dir, e.g. -lmp_serial < lammps/examples/latte/in.latte.water +lmp_serial -in lammps/examples/latte/in.latte.water This pair style was written in collaboration with the LATTE developers.