diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index be52e9fcb8..a27339979c 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -2161,7 +2161,7 @@ void FixRigid::readfile(int which, double *vec, double **array, int *inbody) // id = rigid body ID // use ID as-is for SINGLE, as mol-ID for MOLECULE, as-is for GROUP // for which = 0, store mass/com in vec/array - // for which = 1, store interia tensor array, invert 3,4,5 values to Voigt + // for which = 1, store inertia tensor array, invert 3,4,5 values to Voigt for (int i = 0; i < nchunk; i++) { next = strchr(buf,'\n'); diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 81af793d24..11945f7648 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -2364,7 +2364,7 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody) // tokenize the line into values // id = rigid body ID = mol-ID // for which = 0, store mass/com in vec/array - // for which = 1, store interia tensor array, invert 3,4,5 values to Voigt + // for which = 1, store inertia tensor array, invert 3,4,5 values to Voigt for (int i = 0; i < nchunk; i++) { next = strchr(buf,'\n'); diff --git a/src/USER-CUDA/Install.sh b/src/USER-CUDA/Install.sh index f6501877a3..96345160a6 100755 --- a/src/USER-CUDA/Install.sh +++ b/src/USER-CUDA/Install.sh @@ -185,7 +185,11 @@ include ..\/..\/lib\/cuda\/Makefile.lammps fi elif (test $1 = 0) then - + # need to delete a bunch of depenency files because they indirectly depend on user_cuda.h + for f in input.d output.d pair.d fix_omp.d + do \ + rm -f ../Obj_*/$f + done if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*cuda[^ \t]* //g' ../Makefile.package sed -i -e 's/[^ \t]*CUDA[^ \t]* //g' ../Makefile.package diff --git a/src/USER-OMP/Install.sh b/src/USER-OMP/Install.sh index 3ba1861de6..547fa074e6 100644 --- a/src/USER-OMP/Install.sh +++ b/src/USER-OMP/Install.sh @@ -51,6 +51,11 @@ if (test $mode = 1) then sed -i -e 's|^PKG_INC =[ \t]*|&-DLMP_USER_OMP |' ../Makefile.package fi + # need to delete a bunch of depenency files because they indirectly depend on user_cuda.h + for f in finish.d modify_cuda.d + do \ + rm -f ../Obj_*/$f + done # force rebuild of files with LMP_USER_OMP switch touch ../accelerator_omp.h diff --git a/src/USER-PHONON/fix_phonon.cpp b/src/USER-PHONON/fix_phonon.cpp index f7fa349876..b0d09c146f 100644 --- a/src/USER-PHONON/fix_phonon.cpp +++ b/src/USER-PHONON/fix_phonon.cpp @@ -73,7 +73,7 @@ FixPhonon::FixPhonon(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) nfreq = force->inumeric(FLERR, arg[4]); // frequency to output result if (nfreq < 1) error->all(FLERR,"Illegal fix phonon command"); - waitsteps = ATOBIGINT(arg[5]); // Wait this many timesteps before actually measuring + waitsteps = force->bnumeric(FLERR,arg[5]); // Wait this many timesteps before actually measuring if (waitsteps < 0) error->all(FLERR,"Illegal fix phonon command: waitsteps < 0 !"); int n = strlen(arg[6]) + 1; // map file diff --git a/src/read_dump.cpp b/src/read_dump.cpp index 45ff1f81bf..feefecec96 100644 --- a/src/read_dump.cpp +++ b/src/read_dump.cpp @@ -33,6 +33,7 @@ #include "fix.h" #include "domain.h" #include "comm.h" +#include "force.h" #include "irregular.h" #include "error.h" #include "memory.h" @@ -98,7 +99,7 @@ void ReadDump::command(int narg, char **arg) if (narg < 2) error->all(FLERR,"Illegal read_dump command"); store_files(1,&arg[0]); - bigint nstep = ATOBIGINT(arg[1]); + bigint nstep = force->bnumeric(FLERR,arg[1]); int nremain = narg - 2; if (nremain) nremain = fields_and_keywords(nremain,&arg[narg-nremain]); diff --git a/src/reader_xyz.cpp b/src/reader_xyz.cpp index a8f425cf3a..a78f63792a 100644 --- a/src/reader_xyz.cpp +++ b/src/reader_xyz.cpp @@ -21,6 +21,7 @@ #include "atom.h" #include "memory.h" #include "error.h" +#include "force.h" using namespace LAMMPS_NS; @@ -58,7 +59,7 @@ int ReaderXYZ::read_time(bigint &ntimestep) // first line has to have the number of atoms - natoms = ATOBIGINT(line); + natoms = force->bnumeric(FLERR,line); if (natoms < 1) error->one(FLERR,"Dump file is incorrectly formatted"); diff --git a/src/rerun.cpp b/src/rerun.cpp index 82a5209b40..08e7ccf42a 100644 --- a/src/rerun.cpp +++ b/src/rerun.cpp @@ -70,12 +70,12 @@ void Rerun::command(int narg, char **arg) while (iarg < narg) { if (strcmp(arg[iarg],"first") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command"); - first = ATOBIGINT(arg[iarg+1]); + first = force->bnumeric(FLERR,arg[iarg+1]); if (first < 0) error->all(FLERR,"Illegal rerun command"); iarg += 2; } else if (strcmp(arg[iarg],"last") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command"); - last = ATOBIGINT(arg[iarg+1]); + last = force->bnumeric(FLERR,arg[iarg+1]); if (last < 0) error->all(FLERR,"Illegal rerun command"); iarg += 2; } else if (strcmp(arg[iarg],"every") == 0) { @@ -91,13 +91,13 @@ void Rerun::command(int narg, char **arg) } else if (strcmp(arg[iarg],"start") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command"); startflag = 1; - start = ATOBIGINT(arg[iarg+1]); + start = force->bnumeric(FLERR,arg[iarg+1]); if (start < 0) error->all(FLERR,"Illegal rerun command"); iarg += 2; } else if (strcmp(arg[iarg],"stop") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command"); stopflag = 1; - stop = ATOBIGINT(arg[iarg+1]); + stop = force->bnumeric(FLERR,arg[iarg+1]); if (stop < 0) error->all(FLERR,"Illegal rerun command"); iarg += 2; } else if (strcmp(arg[iarg],"dump") == 0) { diff --git a/src/run.cpp b/src/run.cpp index 2ac9f6cc55..455f5b07a8 100644 --- a/src/run.cpp +++ b/src/run.cpp @@ -42,7 +42,7 @@ void Run::command(int narg, char **arg) if (domain->box_exist == 0) error->all(FLERR,"Run command before simulation box is defined"); - bigint nsteps_input = ATOBIGINT(arg[0]); + bigint nsteps_input = force->bnumeric(FLERR,arg[0]); // parse optional args @@ -65,12 +65,12 @@ void Run::command(int narg, char **arg) } else if (strcmp(arg[iarg],"start") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal run command"); startflag = 1; - start = ATOBIGINT(arg[iarg+1]); + start = force->bnumeric(FLERR,arg[iarg+1]); iarg += 2; } else if (strcmp(arg[iarg],"stop") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal run command"); stopflag = 1; - stop = ATOBIGINT(arg[iarg+1]); + stop = force->bnumeric(FLERR,arg[iarg+1]); iarg += 2; } else if (strcmp(arg[iarg],"pre") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal run command"); diff --git a/src/update.cpp b/src/update.cpp index ac5318578b..f92c89d867 100644 --- a/src/update.cpp +++ b/src/update.cpp @@ -408,7 +408,7 @@ void Update::create_minimize(int narg, char **arg) void Update::reset_timestep(int narg, char **arg) { if (narg != 1) error->all(FLERR,"Illegal reset_timestep command"); - bigint newstep = ATOBIGINT(arg[0]); + bigint newstep = force->bnumeric(FLERR,arg[0]); reset_timestep(newstep); } diff --git a/src/variable.cpp b/src/variable.cpp index 64ace21ed1..895d589892 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -4392,7 +4392,7 @@ int VarReader::read_peratom() if (n == 0) return 1; MPI_Bcast(str,n,MPI_CHAR,0,world); - bigint nlines = ATOBIGINT(str); + bigint nlines = force->bnumeric(FLERR,str); tagint map_tag_max = atom->map_tag_max; bigint nread = 0;