diff --git a/src/Make.py b/src/Make.py index f39e0bbaf7..3692aaee3a 100755 --- a/src/Make.py +++ b/src/Make.py @@ -90,18 +90,19 @@ def switch2str(switches,switch_order): # check if compiler works with ccflags on dummy one-line tmpauto.cpp file # return 1 if successful, else 0 # warn = 1 = print warning if not successful, warn = 0 = no warning +# NOTE: unrecognized -override-limits can leave verride-limits file def compile_check(compiler,ccflags,warn): open("tmpauto.cpp",'w').write("int main(int, char **) {}") str = "%s %s -c tmpauto.cpp" % (compiler,ccflags) txt = commands.getoutput(str) + flag = 1 if txt or not os.path.isfile("tmpauto.o"): flag = 0 if warn: print str if txt: print txt else: print "compile produced no output" - else: flag = 1 os.remove("tmpauto.cpp") if os.path.isfile("tmpauto.o"): os.remove("tmpauto.o") return flag @@ -114,13 +115,13 @@ def link_check(linker,linkflags,warn): open("tmpauto.cpp",'w').write("int main(int, char **) {}") str = "%s %s -o tmpauto tmpauto.cpp" % (linker,linkflags) txt = commands.getoutput(str) + flag = 1 if txt or not os.path.isfile("tmpauto"): flag = 0 if warn: print str if txt: print txt else: print "link produced no output" - else: flag = 1 os.remove("tmpauto.cpp") if os.path.isfile("tmpauto"): os.remove("tmpauto") return flag diff --git a/src/USER-CUDA/Install.sh b/src/USER-CUDA/Install.sh index b963c26216..f6501877a3 100755 --- a/src/USER-CUDA/Install.sh +++ b/src/USER-CUDA/Install.sh @@ -47,7 +47,6 @@ action compute_temp_cuda.h action compute_temp_partial_cuda.cpp action compute_temp_partial_cuda.h action cuda.cpp -action cuda.h action cuda_data.h action cuda_modify_flags.h action cuda_neigh_list.cpp @@ -157,6 +156,7 @@ action pppm_cuda.cpp pppm.cpp action pppm_cuda.h pppm.cpp action pppm_old.cpp pppm.cpp action pppm_old.h pppm.cpp +action user_cuda.h action verlet_cuda.cpp action verlet_cuda.h diff --git a/src/USER-CUDA/atom_vec_atomic_cuda.cpp b/src/USER-CUDA/atom_vec_atomic_cuda.cpp index a2233fab6e..1ec8e2964a 100644 --- a/src/USER-CUDA/atom_vec_atomic_cuda.cpp +++ b/src/USER-CUDA/atom_vec_atomic_cuda.cpp @@ -46,7 +46,7 @@ #include "fix.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "comm.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/atom_vec_charge_cuda.cpp b/src/USER-CUDA/atom_vec_charge_cuda.cpp index 016e7fcca6..cecdc70ed1 100644 --- a/src/USER-CUDA/atom_vec_charge_cuda.cpp +++ b/src/USER-CUDA/atom_vec_charge_cuda.cpp @@ -46,7 +46,7 @@ #include "fix.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "comm.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/comm_cuda.cpp b/src/USER-CUDA/comm_cuda.cpp index 9df27080dc..d8438e9a4c 100644 --- a/src/USER-CUDA/comm_cuda.cpp +++ b/src/USER-CUDA/comm_cuda.cpp @@ -35,7 +35,7 @@ #include "fix.h" #include "group.h" #include "compute.h" -#include "cuda.h" +#include "user_cuda.h" #include "error.h" #include "memory.h" #include "comm_cuda_cu.h" diff --git a/src/USER-CUDA/compute_pressure_cuda.cpp b/src/USER-CUDA/compute_pressure_cuda.cpp index 339374308e..e87264d722 100644 --- a/src/USER-CUDA/compute_pressure_cuda.cpp +++ b/src/USER-CUDA/compute_pressure_cuda.cpp @@ -51,7 +51,7 @@ #include "improper.h" #include "kspace.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/compute_temp_cuda.cpp b/src/USER-CUDA/compute_temp_cuda.cpp index c327e6d004..4b2a203a47 100644 --- a/src/USER-CUDA/compute_temp_cuda.cpp +++ b/src/USER-CUDA/compute_temp_cuda.cpp @@ -48,7 +48,7 @@ #include "fix.h" #include "group.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/compute_temp_partial_cuda.cpp b/src/USER-CUDA/compute_temp_partial_cuda.cpp index 4d5a2fa9df..eb14fc0ccb 100644 --- a/src/USER-CUDA/compute_temp_partial_cuda.cpp +++ b/src/USER-CUDA/compute_temp_partial_cuda.cpp @@ -49,7 +49,7 @@ #include "group.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/cuda.cpp b/src/USER-CUDA/cuda.cpp index 4afb212853..044ebc37e5 100644 --- a/src/USER-CUDA/cuda.cpp +++ b/src/USER-CUDA/cuda.cpp @@ -24,7 +24,7 @@ #include #include #include -#include "cuda.h" +#include "user_cuda.h" #include "atom.h" #include "domain.h" #include "force.h" diff --git a/src/USER-CUDA/cuda.h b/src/USER-CUDA/cuda.h deleted file mode 100644 index 39269d2050..0000000000 --- a/src/USER-CUDA/cuda.h +++ /dev/null @@ -1,159 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - - Original Version: - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - See the README file in the top-level LAMMPS directory. - - ----------------------------------------------------------------------- - - USER-CUDA Package and associated modifications: - https://sourceforge.net/projects/lammpscuda/ - - Christian Trott, christian.trott@tu-ilmenau.de - Lars Winterfeld, lars.winterfeld@tu-ilmenau.de - Theoretical Physics II, University of Technology Ilmenau, Germany - - See the README file in the USER-CUDA directory. - - This software is distributed under the GNU General Public License. -------------------------------------------------------------------------- */ - -#ifndef CUDA_H -#define CUDA_H - -#include "pointers.h" -#include "cuda_shared.h" -#include "cuda_data.h" -#include "cuda_precision.h" -#include - -#ifdef _DEBUG -#define MYDBG(a) a -#else -#define MYDBG(a) -#endif - -namespace LAMMPS_NS -{ -class Cuda : protected Pointers -{ - public: - Cuda(class LAMMPS*); - ~Cuda(); - //static void setDevice(class LAMMPS*); - void allocate(); - - void accelerator(int, char**); - void activate(); - - void setSharedDataZero(); - void setSystemParams(); - - void setDomainParams(); - - void checkResize(); - void evsetup_eatom_vatom(int eflag_atom, int vflag_atom); - void uploadAll(); - void downloadAll(); - void upload(int datamask); - void download(int datamask); - void downloadX(); - - class CudaNeighList* registerNeighborList(class NeighList* neigh_list); - void uploadAllNeighborLists(); - void downloadAllNeighborLists(); - void set_neighinit(int dist_check, double triggerneighsq) { - shared_data.atom.dist_check = dist_check; - shared_data.atom.triggerneighsq = triggerneighsq; - } - bool decide_by_integrator() { - return neighbor_decide_by_integrator && cu_xhold && finished_setup; - } - void update_xhold(int &maxhold, double* xhold); - - void setTimingsZero(); - void print_timings(); - - void cu_x_download() { - cu_x->download(); - } - bool device_set; - bool dotiming; - bool dotestatom; - int testatom; - - double uploadtime, downloadtime; - bool finished_setup, begin_setup; - bool oncpu; - bool finished_run; - - int self_comm; - - int cuda_exists; - - double extent[6]; - int* debugdata; - // data shared between host code and device code - // (number of atoms, device pointers for up- & download) - cuda_shared_data shared_data; - - cCudaData* cu_q; - cCudaData* cu_f; - cCudaData* cu_mass; - cCudaData* cu_rmass; - cCudaData* cu_v; - cCudaData* cu_x; - cCudaData* cu_xhold; - cCudaData* cu_mask; - cCudaData* cu_tag; - cCudaData* cu_type; - cCudaData* cu_image; - cCudaData* cu_eatom; - cCudaData* cu_vatom; - cCudaData* cu_virial; - cCudaData* cu_eng_vdwl; - cCudaData* cu_eng_coul; - cCudaData* cu_extent; - int* binned_id; - cCudaData* cu_binned_id; - int* binned_idnew; - cCudaData* cu_binned_idnew; - cCudaData* cu_debugdata; - cCudaData* cu_radius; - cCudaData* cu_density; - cCudaData* cu_omega; - cCudaData* cu_torque; - cCudaData* cu_special; - cCudaData* cu_nspecial; - cCudaData* cu_molecule; - - - cCudaData* cu_x_type; - X_FLOAT* x_type; - - cCudaData* cu_v_radius; - V_FLOAT* v_radius; - - cCudaData* cu_omega_rmass; - V_FLOAT* omega_rmass; - - cCudaData* cu_map_array; - int neighbor_decide_by_integrator; - - bool pinned; - - void* copy_buffer; - int copy_buffersize; - - private: - int pppn; // number of GPUs/node - int *devicelist; // IDs of GPUs - - std::map neigh_lists; -}; -} - -#endif // CUDA_H diff --git a/src/USER-CUDA/cuda_neigh_list.cpp b/src/USER-CUDA/cuda_neigh_list.cpp index c34fb22ed4..6e05cee274 100644 --- a/src/USER-CUDA/cuda_neigh_list.cpp +++ b/src/USER-CUDA/cuda_neigh_list.cpp @@ -27,7 +27,7 @@ #include #include #include -#include "cuda.h" +#include "user_cuda.h" #include "atom.h" #include "error.h" diff --git a/src/USER-CUDA/domain_cuda.cpp b/src/USER-CUDA/domain_cuda.cpp index d250b5e9d3..43b1dc24a3 100644 --- a/src/USER-CUDA/domain_cuda.cpp +++ b/src/USER-CUDA/domain_cuda.cpp @@ -34,7 +34,7 @@ #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "domain_cu.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/fix_addforce_cuda.cpp b/src/USER-CUDA/fix_addforce_cuda.cpp index 9503e1d828..d064f0d7b2 100644 --- a/src/USER-CUDA/fix_addforce_cuda.cpp +++ b/src/USER-CUDA/fix_addforce_cuda.cpp @@ -32,7 +32,7 @@ #include "error.h" #include "force.h" #include "domain.h" -#include "cuda.h" +#include "user_cuda.h" #include "memory.h" #include "cuda_modify_flags.h" diff --git a/src/USER-CUDA/fix_aveforce_cuda.cpp b/src/USER-CUDA/fix_aveforce_cuda.cpp index b6b9cb705a..326037404f 100644 --- a/src/USER-CUDA/fix_aveforce_cuda.cpp +++ b/src/USER-CUDA/fix_aveforce_cuda.cpp @@ -31,7 +31,7 @@ #include "update.h" #include "respa.h" #include "domain.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" #include "variable.h" #include "input.h" diff --git a/src/USER-CUDA/fix_enforce2d_cuda.cpp b/src/USER-CUDA/fix_enforce2d_cuda.cpp index 8e482c1478..d10edf1cce 100644 --- a/src/USER-CUDA/fix_enforce2d_cuda.cpp +++ b/src/USER-CUDA/fix_enforce2d_cuda.cpp @@ -42,7 +42,7 @@ #include "domain.h" #include "respa.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/fix_gravity_cuda.cpp b/src/USER-CUDA/fix_gravity_cuda.cpp index a7234512d3..34107ed593 100644 --- a/src/USER-CUDA/fix_gravity_cuda.cpp +++ b/src/USER-CUDA/fix_gravity_cuda.cpp @@ -30,7 +30,7 @@ #include "update.h" #include "domain.h" #include "respa.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" #include "math_const.h" #include "error.h" diff --git a/src/USER-CUDA/fix_nh_cuda.cpp b/src/USER-CUDA/fix_nh_cuda.cpp index c0beac2182..4ecf317310 100644 --- a/src/USER-CUDA/fix_nh_cuda.cpp +++ b/src/USER-CUDA/fix_nh_cuda.cpp @@ -32,7 +32,7 @@ #include "memory.h" #include "error.h" #include "math_extra.h" -#include "cuda.h" +#include "user_cuda.h" #include "fix_nh_cuda_cu.h" #include "cuda_modify_flags.h" diff --git a/src/USER-CUDA/fix_nve_cuda.cpp b/src/USER-CUDA/fix_nve_cuda.cpp index 992bb5d5d9..fbe85b176f 100644 --- a/src/USER-CUDA/fix_nve_cuda.cpp +++ b/src/USER-CUDA/fix_nve_cuda.cpp @@ -43,7 +43,7 @@ #include "update.h" #include "respa.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/fix_set_force_cuda.cpp b/src/USER-CUDA/fix_set_force_cuda.cpp index afaf5c7e88..e15fb44c03 100644 --- a/src/USER-CUDA/fix_set_force_cuda.cpp +++ b/src/USER-CUDA/fix_set_force_cuda.cpp @@ -29,7 +29,7 @@ #include "respa.h" #include "error.h" #include "force.h" -#include "cuda.h" +#include "user_cuda.h" #include "memory.h" #include "cuda_modify_flags.h" diff --git a/src/USER-CUDA/fix_shake_cuda.cpp b/src/USER-CUDA/fix_shake_cuda.cpp index a8747d7b13..ca2ff81f6a 100644 --- a/src/USER-CUDA/fix_shake_cuda.cpp +++ b/src/USER-CUDA/fix_shake_cuda.cpp @@ -32,7 +32,7 @@ #include "fix_respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" #include "math_const.h" diff --git a/src/USER-CUDA/fix_temp_berendsen_cuda.cpp b/src/USER-CUDA/fix_temp_berendsen_cuda.cpp index 1e29de8db2..ee08aa3462 100644 --- a/src/USER-CUDA/fix_temp_berendsen_cuda.cpp +++ b/src/USER-CUDA/fix_temp_berendsen_cuda.cpp @@ -47,7 +47,7 @@ #include "modify.h" #include "compute.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/fix_temp_rescale_cuda.cpp b/src/USER-CUDA/fix_temp_rescale_cuda.cpp index 36c75d446b..a0ebb47d12 100644 --- a/src/USER-CUDA/fix_temp_rescale_cuda.cpp +++ b/src/USER-CUDA/fix_temp_rescale_cuda.cpp @@ -36,7 +36,7 @@ #include "modify.h" #include "compute.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp b/src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp index 3675ca0160..eb8cf8d948 100644 --- a/src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp +++ b/src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp @@ -36,7 +36,7 @@ #include "modify.h" #include "compute.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" #include "cuda_modify_flags.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/fix_viscous_cuda.cpp b/src/USER-CUDA/fix_viscous_cuda.cpp index a95b5453c5..42f27ec987 100644 --- a/src/USER-CUDA/fix_viscous_cuda.cpp +++ b/src/USER-CUDA/fix_viscous_cuda.cpp @@ -31,7 +31,7 @@ #include "respa.h" #include "error.h" #include "cuda_modify_flags.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-CUDA/modify_cuda.cpp b/src/USER-CUDA/modify_cuda.cpp index 7ac2687330..82d6d92036 100644 --- a/src/USER-CUDA/modify_cuda.cpp +++ b/src/USER-CUDA/modify_cuda.cpp @@ -23,7 +23,7 @@ #include "group.h" #include "update.h" #include "domain.h" -#include "cuda.h" +#include "user_cuda.h" #include "memory.h" #include "error.h" diff --git a/src/USER-CUDA/neigh_full_cuda.cpp b/src/USER-CUDA/neigh_full_cuda.cpp index ba70497ef1..4f38b4009d 100644 --- a/src/USER-CUDA/neigh_full_cuda.cpp +++ b/src/USER-CUDA/neigh_full_cuda.cpp @@ -28,7 +28,7 @@ #include "group.h" #include "error.h" #include "cuda_neigh_list.h" -#include "cuda.h" +#include "user_cuda.h" #include "neighbor_cu.h" #include using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/neighbor_cuda.cpp b/src/USER-CUDA/neighbor_cuda.cpp index 90d015eeba..eb46a44b3c 100644 --- a/src/USER-CUDA/neighbor_cuda.cpp +++ b/src/USER-CUDA/neighbor_cuda.cpp @@ -13,7 +13,7 @@ #include "math.h" #include "neighbor_cuda.h" -#include "cuda.h" +#include "user_cuda.h" #include "atom.h" #include "atom_vec.h" #include "domain.h" diff --git a/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp b/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp index 00698ed81d..67d6ea8488 100644 --- a/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp @@ -42,7 +42,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_buck_cuda.cpp b/src/USER-CUDA/pair_buck_cuda.cpp index 6443f92d2f..d341e57259 100644 --- a/src/USER-CUDA/pair_buck_cuda.cpp +++ b/src/USER-CUDA/pair_buck_cuda.cpp @@ -42,7 +42,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj96_cut_cuda.cpp b/src/USER-CUDA/pair_lj96_cut_cuda.cpp index 58d866528a..af362a3b08 100644 --- a/src/USER-CUDA/pair_lj96_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj96_cut_cuda.cpp @@ -57,7 +57,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp index a702344f08..1abed27cb2 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp @@ -42,7 +42,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp index 0ed229fff4..130b450fa8 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp @@ -42,7 +42,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_cut_cuda.cpp b/src/USER-CUDA/pair_lj_cut_cuda.cpp index 7f35db0918..68502c84a3 100644 --- a/src/USER-CUDA/pair_lj_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_cuda.cpp @@ -57,7 +57,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp b/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp index ffc9533b45..952eeefe14 100644 --- a/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp @@ -57,7 +57,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_expand_cuda.cpp b/src/USER-CUDA/pair_lj_expand_cuda.cpp index 4420fb7c58..df878f0039 100644 --- a/src/USER-CUDA/pair_lj_expand_cuda.cpp +++ b/src/USER-CUDA/pair_lj_expand_cuda.cpp @@ -57,7 +57,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp b/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp index 13b53fb0b4..890455c0a5 100644 --- a/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp +++ b/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp @@ -42,7 +42,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_gromacs_cuda.cpp b/src/USER-CUDA/pair_lj_gromacs_cuda.cpp index f50fccf290..5c12e0bdbd 100644 --- a/src/USER-CUDA/pair_lj_gromacs_cuda.cpp +++ b/src/USER-CUDA/pair_lj_gromacs_cuda.cpp @@ -42,7 +42,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_lj_smooth_cuda.cpp b/src/USER-CUDA/pair_lj_smooth_cuda.cpp index ef4750b389..2709b47095 100644 --- a/src/USER-CUDA/pair_lj_smooth_cuda.cpp +++ b/src/USER-CUDA/pair_lj_smooth_cuda.cpp @@ -42,7 +42,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/pair_morse_cuda.cpp b/src/USER-CUDA/pair_morse_cuda.cpp index ec5fabd5e8..b5d1bb11de 100644 --- a/src/USER-CUDA/pair_morse_cuda.cpp +++ b/src/USER-CUDA/pair_morse_cuda.cpp @@ -57,7 +57,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "cuda.h" +#include "user_cuda.h" using namespace LAMMPS_NS; diff --git a/src/USER-CUDA/verlet_cuda.cpp b/src/USER-CUDA/verlet_cuda.cpp index d5ba68b7ec..d9fbf710b9 100644 --- a/src/USER-CUDA/verlet_cuda.cpp +++ b/src/USER-CUDA/verlet_cuda.cpp @@ -49,7 +49,7 @@ #include "cuda_wrapper_cu.h" #include "thermo.h" #include "cuda_pair_cu.h" -#include "cuda.h" +#include "user_cuda.h" #include #include #ifdef _OPENMP diff --git a/src/accelerator_cuda.h b/src/accelerator_cuda.h index 19639a6932..a4d9f6bdfd 100644 --- a/src/accelerator_cuda.h +++ b/src/accelerator_cuda.h @@ -19,7 +19,7 @@ #ifdef LMP_USER_CUDA -#include "cuda.h" +#include "user_cuda.h" #include "comm_cuda.h" #include "domain_cuda.h" #include "neighbor_cuda.h"