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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7318 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-12-08 23:13:23 +00:00
parent 4a2feb25b2
commit 501eb48d5b
3 changed files with 13 additions and 24 deletions
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21
src/GPU/Install.sh
View File

@ -50,14 +50,14 @@ if (test $1 = 1) then
cp pair_coul_long_gpu.h ..
fi
if (test -e ../pair_cg_cmm.cpp) then
cp pair_cg_cmm_gpu.cpp ..
cp pair_cg_cmm_gpu.h ..
if (test -e ../pair_lj_sdk.cpp) then
cp pair_lj_sdk_gpu.cpp ..
cp pair_lj_sdk_gpu.h ..
fi
if (test -e ../pair_cg_cmm_coul_long.cpp) then
cp pair_cg_cmm_coul_long_gpu.cpp ..
cp pair_cg_cmm_coul_long_gpu.h ..
if (test -e ../pair_lj_sdk_coul_long.cpp) then
cp pair_lj_sdk_coul_long_gpu.cpp ..
cp pair_lj_sdk_coul_long_gpu.h ..
fi
if (test -e ../pppm.cpp) then
@ -70,6 +70,7 @@ if (test $1 = 1) then
cp pair_lj96_cut_gpu.cpp ..
cp pair_lj_expand_gpu.cpp ..
cp pair_lj_cut_coul_cut_gpu.cpp ..
cp fix_gpu.cpp ..
cp pair_lj_cut_gpu.h ..
@ -104,8 +105,8 @@ elif (test $1 = 0) then
rm -f ../pair_lj_class2_coul_long_gpu.cpp
rm -f ../pair_lj_charmm_coul_long_gpu.cpp
rm -f ../pair_coul_long_gpu.cpp
rm -f ../pair_cg_cmm_gpu.cpp
rm -f ../pair_cg_cmm_coul_long_gpu.cpp
rm -f ../pair_lj_sdk_gpu.cpp
rm -f ../pair_lj_sdk_coul_long_gpu.cpp
rm -f ../fix_gpu.cpp
@ -122,8 +123,8 @@ elif (test $1 = 0) then
rm -f ../pair_lj_class2_coul_long_gpu.h
rm -f ../pair_lj_charmm_coul_long_gpu.h
rm -f ../pair_coul_long_gpu.h
rm -f ../pair_cg_cmm_gpu.h
rm -f ../pair_cg_cmm_coul_long_gpu.h
rm -f ../pair_lj_sdk_gpu.h
rm -f ../pair_lj_sdk_coul_long_gpu.h
rm -f ../fix_gpu.h
rm -f ../gpu_extra.h

12
src/GPU/Package.sh
View File

@ -33,18 +33,6 @@ for file in *.cpp *.h; do
if (test $file = pair_cg_cmm_coul_long_gpu.h -a ! -e ../pair_cg_cmm_coul_long.cpp) then
continue
fi
if (test $file = pair_cg_cmm_coul_msm.cpp -a ! -e ../pair_cg_cmm.cpp) then
continue
fi
if (test $file = pair_cg_cmm_coul_msm.h -a ! -e ../pair_cg_cmm.cpp) then
continue
fi
if (test $file = pair_cg_cmm_coul_msm_gpu.cpp -a ! -e ../pair_cg_cmm.cpp) then
continue
fi
if (test $file = pair_cg_cmm_coul_msm_gpu.h -a ! -e ../pair_cg_cmm.cpp) then
continue
fi
if (test ! -e ../$file) then
echo " creating src/$file"

4
src/GPU/pair_lj_cut_coul_long_gpu.cpp
View File

@ -76,7 +76,7 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
PairLJCutCoulLongGPU::PairLJCutCoulLongGPU(LAMMPS *lmp) :
PairLJCutCoulLongGPU::PairLJCutCoulLongGPU(LAMMPS *lmp) :
PairLJCutCoulLong(lmp), gpu_mode(GPU_FORCE)
{
respa_enable = 0;
@ -144,7 +144,7 @@ void PairLJCutCoulLongGPU::init_style()
if (!atom->q_flag)
error->all(FLERR,"Pair style lj/cut/coul/long/gpu requires atom attribute q");
if (force->newton_pair)
error->all(FLERR,"Cannot use newton pair with lj/cut/could/cut/gpu pair style");
error->all(FLERR,"Cannot use newton pair with lj/cut/coul/long/gpu pair style");
// Repeat cutsq calculation because done after call to init_style
double maxcut = -1.0;