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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-11-07 21:03:31 +00:00
parent 007123f198
commit b741a77712
10 changed files with 20 additions and 22 deletions
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6
src/MAKE/MACHINES/Makefile.mingw32-cross
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@ -13,9 +13,9 @@ CCFLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp \
SHFLAGS = # -fPIC (not needed on windows, all code is PIC)
DEPFLAGS = -M
LINK = i686-w64-mingw32-g++
LINK = i686-w64-mingw32-g++ -static
LINKFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp
LIB = -lwsock32 -static-libgcc
LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi
SIZE = i686-w64-mingw32-size
ARCHIVE = i686-w64-mingw32-ar
@ -49,7 +49,7 @@ MPI_PATH = -L../STUBS
MPI_LIB = -lmpi_mingw32
# FFT library
# see discussion in Section 2.2 (step 6) of manaul
# see discussion in Section 2.2 (step 6) of manual
# can be left blank to use provided KISS FFT library
# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
# PATH = path for FFT library

10
src/MAKE/MACHINES/Makefile.mingw32-cross-mpi
View File

@ -13,9 +13,9 @@ CCFLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp \
SHFLAGS = # -fPIC (not needed on windows, all code is PIC)
DEPFLAGS = -M
LINK = i686-w64-mingw32-g++
LINKFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp
LIB = -lwsock32 -static-libgcc
LINK = i686-w64-mingw32-g++ -static
LINKFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp
LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi
SIZE = i686-w64-mingw32-size
ARCHIVE = i686-w64-mingw32-ar
@ -44,12 +44,12 @@ LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_G
# PATH = path for MPI library
# LIB = name of MPI library
MPI_INC = -I../../tools/mingw-cross/mpich2-win32/include
MPI_INC = -I../../tools/mingw-cross/mpich2-win32/include -DMPICH_SKIP_MPICXX
MPI_PATH = -L../../tools/mingw-cross/mpich2-win32/lib
MPI_LIB = -lmpi
# FFT library
# see discussion in Section 2.2 (step 6) of manaul
# see discussion in Section 2.2 (step 6) of manual
# can be left blank to use provided KISS FFT library
# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
# PATH = path for FFT library

6
src/MAKE/MACHINES/Makefile.mingw64-cross
View File

@ -13,9 +13,9 @@ CCFLAGS = -O3 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp \
SHFLAGS = # -fPIC (not needed on windows, all code is PIC)
DEPFLAGS = -M
LINK = x86_64-w64-mingw32-g++
LINK = x86_64-w64-mingw32-g++ -static
LINKFLAGS = -O2 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp
LIB = -lwsock32 -static-libgcc
LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi
SIZE = x86_64-w64-mingw32-size
ARCHIVE = x86_64-w64-mingw32-ar
@ -49,7 +49,7 @@ MPI_PATH = -L../STUBS
MPI_LIB = -lmpi_mingw64
# FFT library
# see discussion in Section 2.2 (step 6) of manaul
# see discussion in Section 2.2 (step 6) of manual
# can be left blank to use provided KISS FFT library
# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
# PATH = path for FFT library

8
src/MAKE/MACHINES/Makefile.mingw64-cross-mpi
View File

@ -13,9 +13,9 @@ CCFLAGS = -O3 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp \
SHFLAGS = # -fPIC (not needed on windows, all code is PIC)
DEPFLAGS = -M
LINK = x86_64-w64-mingw32-g++
LINK = x86_64-w64-mingw32-g++ -static
LINKFLAGS = -O2 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp
LIB = -lwsock32 -static-libgcc
LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi
SIZE = x86_64-w64-mingw32-size
ARCHIVE = x86_64-w64-mingw32-ar
@ -44,12 +44,12 @@ LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZI
# PATH = path for MPI library
# LIB = name of MPI library
MPI_INC = -I../../tools/mingw-cross/mpich2-win64/include
MPI_INC = -I../../tools/mingw-cross/mpich2-win64/include -DMPICH_SKIP_MPICXX
MPI_PATH = -L../../tools/mingw-cross/mpich2-win64/lib
MPI_LIB = -lmpi
# FFT library
# see discussion in Section 2.2 (step 6) of manaul
# see discussion in Section 2.2 (step 6) of manual
# can be left blank to use provided KISS FFT library
# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings
# PATH = path for FFT library

1
src/MANYBODY/fix_qeq_comb.cpp
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@ -33,7 +33,6 @@
#include "update.h"
#include "memory.h"
#include "error.h"
#include "iostream"
using namespace LAMMPS_NS;
using namespace FixConst;

1
src/USER-MISC/fix_ave_correlate_long.cpp
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@ -424,6 +424,7 @@ void FixAveCorrelateLong::end_of_step()
for (i = 0; i < nvalues; i++) {
m = value2index[i];
scalar = 0.0;
// invoke compute if not previously invoked

5
src/displace_atoms.cpp
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@ -302,10 +302,7 @@ void DisplaceAtoms::move(int idim, char *arg, double scale)
if (mask[i] & groupbit) x[i][idim] += delta;
} else {
int n = strlen(&arg[2]) + 1;
char *vstr = new char[n];
strcpy(vstr,&arg[2]);
int ivar = input->variable->find(vstr);
int ivar = input->variable->find(arg+2);
if (ivar < 0)
error->all(FLERR,"Variable name for displace_atoms does not exist");

1
src/read_dump.cpp
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@ -839,6 +839,7 @@ void ReadDump::process_atoms(int n)
// create type and coord fields from dump file
// coord = 0.0 unless corresponding dump file field was specified
itype = 0;
one[0] = one[1] = one[2] = 0.0;
for (ifield = 1; ifield < nfield; ifield++) {
switch (fieldtype[ifield]) {

2
src/region_cone.cpp
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@ -167,7 +167,7 @@ int RegCone::inside(double x, double y, double z)
{
double del1,del2,dist;
double currentradius;
int inside;
int inside = 0;
if (axis == 'x') {
del1 = y - c1;

2
src/variable.cpp
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@ -817,7 +817,7 @@ double Variable::compute_equal(int ivar)
error->all(FLERR,"Variable has circular dependency");
eval_in_progress[ivar] = 1;
double value;
double value = 0.0;
if (style[ivar] == EQUAL) value = evaluate(data[ivar][0],NULL);
else if (style[ivar] == PYTHON) {
int ifunc = python->find(data[ivar][0]);