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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3685 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2010-01-14 21:11:58 +00:00
parent 2c8f1d375d
commit 4663686781
9 changed files with 19 additions and 22 deletions
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4
src/DSMC/pair_dsmc.cpp
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@ -158,9 +158,9 @@ void PairDSMC::compute(int eflag, int vflag)
convert_double_to_equivalent_int(num_of_collisions_double);
if (num_of_collisions > number_of_A)
error->warning("num_of_collisions > number_of_A");
error->warning("Pair dsmc: num_of_collisions > number_of_A");
if (num_of_collisions > number_of_B)
error->warning("num_of_collisions > number_of_B");
error->warning("Pair dsmc: num_of_collisions > number_of_B");
// perform collisions on pairs of particles in icell

8
src/GPU/pair_gayberne_gpu.cpp
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@ -114,7 +114,7 @@ void PairGayBerneGPU::compute(int eflag, int vflag)
if (eflag || vflag) ev_setup(eflag,vflag);
else evflag = vflag_fdotr = 0;
if (vflag_atom)
error->all("Per-atom virial not available with GPU Gay-Berne.");
error->all("Per-atom virial not available with GPU Gay-Berne");
int nlocal = atom->nlocal;
int nall = nlocal + atom->nghost;
@ -151,7 +151,7 @@ void PairGayBerneGPU::compute(int eflag, int vflag)
success);
#endif
if (!success)
error->one("Total # of atoms exceeds maximum allowed per GPGPU.\n");
error->one("Total # of atoms exceeds maximum allowed per GPGPU");
// copy atom data to GPU
gb_gpu_atom(atom->x,atom->quat,atom->type,rebuild,my_thread);
@ -324,7 +324,7 @@ void PairGayBerneGPU::init_style()
lj1, lj2, lj3, lj4, offset, force->special_lj,
neighbor->oneatom, my_thread, my_gpu);
if (!init_ok)
error->one("AT LEAST ONE PROCESS COULD NOT ALLOCATE A CUDA-ENABLED GPU.");
error->one("At least one process could not allocate a CUDA-enabled gpu");
if (ij_new[my_thread]!=NULL)
delete [] ij_new[my_thread];
@ -335,7 +335,7 @@ void PairGayBerneGPU::init_style()
neighbor->requests[irequest]->half = 0;
neighbor->requests[irequest]->full = 1;
if (force->newton_pair)
error->all("Cannot use newton with GPU GayBerne pair style.");
error->all("Cannot use newton pair with GPU GayBerne pair style");
if (comm->me == 0 && screen) {
printf("\n-------------------------------------");

8
src/GPU/pair_lj_cut_gpu.cpp
View File

@ -95,7 +95,7 @@ void PairLJCutGPU::compute(int eflag, int vflag)
if (eflag || vflag) ev_setup(eflag,vflag);
else evflag = vflag_fdotr = 0;
if (vflag_atom)
error->all("Per-atom virial not available with GPU Gay-Berne.");
error->all("Per-atom virial not available with GPU lj/cut");
int nlocal = atom->nlocal;
int nall = nlocal + atom->nghost;
@ -111,7 +111,7 @@ void PairLJCutGPU::compute(int eflag, int vflag)
// copy nbors to GPU
if (rebuild)
if (!lj_gpu_reset_nbors(nall, inum, ilist, list->numneigh))
error->one("Total # of atoms exceed maximum allowed per GPGPU.\n");
error->one("Total # of atoms exceeds maximum allowed per GPGPU");
// copy atom data to GPU
lj_gpu_atom(atom->x,atom->type,rebuild);
@ -225,7 +225,7 @@ void PairLJCutGPU::init_style()
if (!lj_gpu_init(ij_size, atom->ntypes+1, cutsq, sigma, epsilon, lj1, lj2,lj3,
lj4, offset, force->special_lj, neighbor->oneatom, my_gpu))
error->one("AT LEAST ONE PROCESS COULD NOT ALLOCATE A CUDA-ENABLED GPU.");
error->one("At least one process could not allocate a CUDA-enabled gpu");
if (ij_new!=NULL)
delete [] ij_new;
@ -235,7 +235,7 @@ void PairLJCutGPU::init_style()
neighbor->requests[irequest]->half = 0;
neighbor->requests[irequest]->full = 1;
if (force->newton_pair)
error->all("Cannot use newton with GPU LJCut pair style.");
error->all("Cannot use newton pair with GPU lj/cut pair style");
if (comm->me == 0 && screen) {
printf("\n-------------------------------------");

8
src/Makefile.package
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@ -2,8 +2,8 @@
# this file is auto-edited when those packages are included/excluded
PKG_INC = -I../../lib/reax -I../../lib/poems -I../../lib/meam
PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam
PKG_LIB = -lreax -lpoems -lmeam
PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam -L../../lib/gpu
PKG_LIB = -lreax -lpoems -lmeam -lgpu
PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH)
PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB)
PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) $(gpu_SYSPATH)
PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB) $(gpu_SYSLIB)

2
src/PRD/compute_event_displace.cpp
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@ -44,7 +44,7 @@ ComputeEventDisplace::ComputeEventDisplace(LAMMPS *lmp, int narg, char **arg) :
double displace_dist = atof(arg[3]);
if (displace_dist <= 0.0)
error->all("Distnace must be > 0 for compute event/displace");
error->all("Distance must be > 0 for compute event/displace");
displace_distsq = displace_dist * displace_dist;
// fix event ID will be set later by PRD

2
src/PRD/prd.cpp
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@ -88,7 +88,7 @@ void PRD::command(int narg, char **arg)
// total # of timesteps must be multiple of t_event
if (t_event == 0) error->universe_all("Invalid t_event in prd command");
if (t_event <= 0) error->universe_all("Invalid t_event in prd command");
if (nsteps % t_event)
error->universe_all("PRD nsteps must be multiple of t_event");
if (t_corr % t_event)

3
src/dump_cfg.cpp
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@ -149,14 +149,11 @@ void DumpCFG::init()
for (int i = 0; i < size_one; i++) {
if (i == 0) ptr = strtok(format," \0");
else ptr = strtok(NULL," \0");
if (ptr == NULL) error->all("Dump cfg user format string error");
delete [] vformat[i];
vformat[i] = new char[strlen(ptr) + 2];
strcpy(vformat[i],ptr);
vformat[i] = strcat(vformat[i]," ");
}
if (strtok(NULL," \0"))
error->all("Dump cfg user format string error");
// find current ptr for each compute,fix,variable
// check that fix frequency is acceptable

2
src/fix_ave_histo.cpp
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@ -202,7 +202,7 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
}
if (i == 0) kind = kindflag;
else if (kindflag != kind)
error->all("Fix ave/histo inputs are not all global, peraton, or local");
error->all("Fix ave/histo inputs are not all global, peratom, or local");
}
if (kind == PERATOM && mode == SCALAR)

4
src/fix_box_relax.cpp
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@ -337,7 +337,7 @@ void FixBoxRelax::min_clearstore()
void FixBoxRelax::min_pushstore()
{
if (current_lifo >= MAX_LIFO_DEPTH) {
error->all("Attempt to push beyond stack limit <FixBoxRelax>");
error->all("Attempt to push beyond stack limit in fix box/relax");
return;
}
@ -352,7 +352,7 @@ void FixBoxRelax::min_pushstore()
void FixBoxRelax::min_popstore()
{
if (current_lifo <= 0) {
error->all("Attempt to pop empty stack <FixBoxRelax>");
error->all("Attempt to pop empty stack in fix box/relax");
return;
}