diff --git a/lib/gpu/lal_beck_ext.cpp b/lib/gpu/lal_beck_ext.cpp index ab65237e27..d4be986ff5 100644 --- a/lib/gpu/lal_beck_ext.cpp +++ b/lib/gpu/lal_beck_ext.cpp @@ -76,7 +76,7 @@ int beck_gpu_init(const int ntypes, double **cutsq, double **aa, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - BLMF.device->gpu_barrier(); + BLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_born_coul_long_cs_ext.cpp b/lib/gpu/lal_born_coul_long_cs_ext.cpp index fc6b89692f..3d6383acca 100644 --- a/lib/gpu/lal_born_coul_long_cs_ext.cpp +++ b/lib/gpu/lal_born_coul_long_cs_ext.cpp @@ -84,7 +84,7 @@ int bornclcs_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - BCLCSMF.device->gpu_barrier(); + BCLCSMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_born_coul_long_ext.cpp b/lib/gpu/lal_born_coul_long_ext.cpp index 9d17f2fa7d..6975f5237e 100644 --- a/lib/gpu/lal_born_coul_long_ext.cpp +++ b/lib/gpu/lal_born_coul_long_ext.cpp @@ -84,7 +84,7 @@ int borncl_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - BORNCLMF.device->gpu_barrier(); + BORNCLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_born_coul_wolf_cs_ext.cpp b/lib/gpu/lal_born_coul_wolf_cs_ext.cpp index ae162a7c52..be07504727 100644 --- a/lib/gpu/lal_born_coul_wolf_cs_ext.cpp +++ b/lib/gpu/lal_born_coul_wolf_cs_ext.cpp @@ -86,7 +86,7 @@ int borncwcs_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, host_cut_coulsq, host_special_coul, qqrd2e, alf, e_shift, f_shift); - BornCWCST.device->gpu_barrier(); + BornCWCST.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_born_coul_wolf_ext.cpp b/lib/gpu/lal_born_coul_wolf_ext.cpp index bc38db1b9c..a3e8fd44f2 100644 --- a/lib/gpu/lal_born_coul_wolf_ext.cpp +++ b/lib/gpu/lal_born_coul_wolf_ext.cpp @@ -86,7 +86,7 @@ int borncw_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, host_cut_coulsq, host_special_coul, qqrd2e, alf, e_shift, f_shift); - BORNCWMF.device->gpu_barrier(); + BORNCWMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_born_ext.cpp b/lib/gpu/lal_born_ext.cpp index 2321a1264d..ca2b79865a 100644 --- a/lib/gpu/lal_born_ext.cpp +++ b/lib/gpu/lal_born_ext.cpp @@ -80,7 +80,7 @@ int born_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - BORNMF.device->gpu_barrier(); + BORNMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -114,7 +114,7 @@ void born_gpu_reinit(const int ntypes, double **host_rhoinv, BORNMF.reinit(ntypes, host_rhoinv, host_born1, host_born2, host_born3, host_a, host_c, host_d, offset); - BORNMF.device->gpu_barrier(); + BORNMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_buck_coul_ext.cpp b/lib/gpu/lal_buck_coul_ext.cpp index 9cf8f9b00e..cb07daecc4 100644 --- a/lib/gpu/lal_buck_coul_ext.cpp +++ b/lib/gpu/lal_buck_coul_ext.cpp @@ -83,7 +83,7 @@ int buckc_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e); - BUCKCMF.device->gpu_barrier(); + BUCKCMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_buck_coul_long_ext.cpp b/lib/gpu/lal_buck_coul_long_ext.cpp index 393ccc3feb..3307b8f5bc 100644 --- a/lib/gpu/lal_buck_coul_long_ext.cpp +++ b/lib/gpu/lal_buck_coul_long_ext.cpp @@ -82,7 +82,7 @@ int buckcl_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, maxspecial, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - BUCKCLMF.device->gpu_barrier(); + BUCKCLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_buck_ext.cpp b/lib/gpu/lal_buck_ext.cpp index 738b33337d..70915cb227 100644 --- a/lib/gpu/lal_buck_ext.cpp +++ b/lib/gpu/lal_buck_ext.cpp @@ -77,7 +77,7 @@ int buck_gpu_init(const int ntypes, double **cutsq, double **host_rhoinv, host_a, host_c, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - BUCKMF.device->gpu_barrier(); + BUCKMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -110,7 +110,7 @@ void buck_gpu_reinit(const int ntypes, double **cutsq, double **host_rhoinv, BUCKMF.reinit(ntypes, cutsq, host_rhoinv, host_buck1, host_buck2, host_a, host_c, offset); - BUCKMF.device->gpu_barrier(); + BUCKMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_charmm_ext.cpp b/lib/gpu/lal_charmm_ext.cpp index bed2f21933..471599b1b1 100644 --- a/lib/gpu/lal_charmm_ext.cpp +++ b/lib/gpu/lal_charmm_ext.cpp @@ -88,7 +88,7 @@ int crm_gpu_init(const int ntypes, double cut_bothsq, double **host_lj1, qqrd2e, cut_lj_innersq, cut_coul_innersq, denom_lj, denom_coul, epsilon, sigma, mix_arithmetic); - CRMMF.device->gpu_barrier(); + CRMMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_charmm_long_ext.cpp b/lib/gpu/lal_charmm_long_ext.cpp index 13565f5682..dfe3d99383 100644 --- a/lib/gpu/lal_charmm_long_ext.cpp +++ b/lib/gpu/lal_charmm_long_ext.cpp @@ -86,7 +86,7 @@ int crml_gpu_init(const int ntypes, double cut_bothsq, double **host_lj1, qqrd2e, g_ewald, cut_lj_innersq, denom_lj, epsilon, sigma, mix_arithmetic); - CRMLMF.device->gpu_barrier(); + CRMLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_colloid_ext.cpp b/lib/gpu/lal_colloid_ext.cpp index dcfd1a6d34..cfd050e486 100644 --- a/lib/gpu/lal_colloid_ext.cpp +++ b/lib/gpu/lal_colloid_ext.cpp @@ -83,7 +83,7 @@ int colloid_gpu_init(const int ntypes, double **cutsq, double **host_lj1, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - COLLMF.device->gpu_barrier(); + COLLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_coul_debye_ext.cpp b/lib/gpu/lal_coul_debye_ext.cpp index 516dca5df8..fbe319d499 100644 --- a/lib/gpu/lal_coul_debye_ext.cpp +++ b/lib/gpu/lal_coul_debye_ext.cpp @@ -74,7 +74,7 @@ int cdebye_gpu_init(const int ntypes, double **host_scale, double **cutsq, init_ok=CDEMF.init(ntypes, host_scale, cutsq, host_special_coul, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen, qqrd2e, kappa); - CDEMF.device->gpu_barrier(); + CDEMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -103,7 +103,7 @@ void cdebye_gpu_reinit(const int ntypes, double **host_scale) { if (gpu_rank==i && world_me!=0) CDEMF.reinit(ntypes, host_scale); - CDEMF.device->gpu_barrier(); + CDEMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_coul_dsf_ext.cpp b/lib/gpu/lal_coul_dsf_ext.cpp index e21c70ae4b..9654d1e1a3 100644 --- a/lib/gpu/lal_coul_dsf_ext.cpp +++ b/lib/gpu/lal_coul_dsf_ext.cpp @@ -77,7 +77,7 @@ int cdsf_gpu_init(const int ntypes, const int inum, const int nall, gpu_split, screen, host_cut_coulsq, host_special_coul, qqrd2e, e_shift, f_shift, alpha); - CDMF.device->gpu_barrier(); + CDMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_coul_ext.cpp b/lib/gpu/lal_coul_ext.cpp index 370c186123..91d4433e9a 100644 --- a/lib/gpu/lal_coul_ext.cpp +++ b/lib/gpu/lal_coul_ext.cpp @@ -74,7 +74,7 @@ int coul_gpu_init(const int ntypes, double **host_scale, init_ok=COULMF.init(ntypes, host_scale, cutsq, special_coul, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen, qqrd2e); - COULMF.device->gpu_barrier(); + COULMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -103,7 +103,7 @@ void coul_gpu_reinit(const int ntypes, double **host_scale) { if (gpu_rank==i && world_me!=0) COULMF.reinit(ntypes, host_scale); - COULMF.device->gpu_barrier(); + COULMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_coul_long_cs_ext.cpp b/lib/gpu/lal_coul_long_cs_ext.cpp index df92619f2f..be4630516c 100644 --- a/lib/gpu/lal_coul_long_cs_ext.cpp +++ b/lib/gpu/lal_coul_long_cs_ext.cpp @@ -76,7 +76,7 @@ int clcs_gpu_init(const int ntypes, double **host_scale, cell_size, gpu_split, screen, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - CLCSMF.device->gpu_barrier(); + CLCSMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -105,7 +105,7 @@ void clcs_gpu_reinit(const int ntypes, double **host_scale) { if (gpu_rank==i && world_me!=0) CLCSMF.reinit(ntypes, host_scale); - CLCSMF.device->gpu_barrier(); + CLCSMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_coul_long_ext.cpp b/lib/gpu/lal_coul_long_ext.cpp index 1d9dcfdeca..034d23f507 100644 --- a/lib/gpu/lal_coul_long_ext.cpp +++ b/lib/gpu/lal_coul_long_ext.cpp @@ -76,7 +76,7 @@ int cl_gpu_init(const int ntypes, double **host_scale, cell_size, gpu_split, screen, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - CLMF.device->gpu_barrier(); + CLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -105,7 +105,7 @@ void cl_gpu_reinit(const int ntypes, double **host_scale) { if (gpu_rank==i && world_me!=0) CLMF.reinit(ntypes, host_scale); - CLMF.device->gpu_barrier(); + CLMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_device.cpp b/lib/gpu/lal_device.cpp index 84263ad3da..c28404ab78 100644 --- a/lib/gpu/lal_device.cpp +++ b/lib/gpu/lal_device.cpp @@ -328,7 +328,7 @@ int DeviceT::init_device(MPI_Comm world, MPI_Comm replica, const int ngpu, for (int i=0; i<_procs_per_gpu; i++) { if (_gpu_rank==i) flag=compile_kernels(); - gpu_barrier(); + serialize_init(); } // check if double precision support is available diff --git a/lib/gpu/lal_device.h b/lib/gpu/lal_device.h index 54fcf2f4e8..f5136d9fa0 100644 --- a/lib/gpu/lal_device.h +++ b/lib/gpu/lal_device.h @@ -217,6 +217,12 @@ class Device { inline int gpu_rank() const { return _gpu_rank; } /// MPI Barrier for gpu inline void gpu_barrier() { MPI_Barrier(_comm_gpu); } + /// Serialize GPU initialization and JIT for unsafe platforms + inline void serialize_init() { + #ifdef LAL_SERIALIZE_INIT + gpu_barrier(); + #endif + } /// Return the 'mode' for acceleration: GPU_FORCE, GPU_NEIGH or GPU_HYB_NEIGH inline int gpu_mode() const { return _gpu_mode; } /// Index of first device used by a node diff --git a/lib/gpu/lal_dipole_lj_ext.cpp b/lib/gpu/lal_dipole_lj_ext.cpp index 90c9935913..4252264280 100644 --- a/lib/gpu/lal_dipole_lj_ext.cpp +++ b/lib/gpu/lal_dipole_lj_ext.cpp @@ -80,7 +80,7 @@ int dpl_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e); - DPLMF.device->gpu_barrier(); + DPLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_dipole_lj_sf_ext.cpp b/lib/gpu/lal_dipole_lj_sf_ext.cpp index 0879702887..69469630b1 100644 --- a/lib/gpu/lal_dipole_lj_sf_ext.cpp +++ b/lib/gpu/lal_dipole_lj_sf_ext.cpp @@ -80,7 +80,7 @@ int dplsf_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e); - DPLSFMF.device->gpu_barrier(); + DPLSFMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_dipole_long_lj_ext.cpp b/lib/gpu/lal_dipole_long_lj_ext.cpp index fd61706ba9..9ba5f3ccf3 100644 --- a/lib/gpu/lal_dipole_long_lj_ext.cpp +++ b/lib/gpu/lal_dipole_long_lj_ext.cpp @@ -81,7 +81,7 @@ int dplj_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - DPLJMF.device->gpu_barrier(); + DPLJMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_dpd_ext.cpp b/lib/gpu/lal_dpd_ext.cpp index 7637ff03c0..2f7ef3e7e2 100644 --- a/lib/gpu/lal_dpd_ext.cpp +++ b/lib/gpu/lal_dpd_ext.cpp @@ -76,7 +76,7 @@ int dpd_gpu_init(const int ntypes, double **cutsq, double **host_a0, host_cut, special_lj, false, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - DPDMF.device->gpu_barrier(); + DPDMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_dpd_tstat_ext.cpp b/lib/gpu/lal_dpd_tstat_ext.cpp index 0e60e3fccc..2b63bf62e7 100644 --- a/lib/gpu/lal_dpd_tstat_ext.cpp +++ b/lib/gpu/lal_dpd_tstat_ext.cpp @@ -76,7 +76,7 @@ int dpd_tstat_gpu_init(const int ntypes, double **cutsq, double **host_a0, host_cut, special_lj, true, inum, nall, 300, maxspecial, cell_size, gpu_split, screen); - DPDTMF.device->gpu_barrier(); + DPDTMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_eam_alloy_ext.cpp b/lib/gpu/lal_eam_alloy_ext.cpp index 5a3dfb9d6d..488692bd2f 100644 --- a/lib/gpu/lal_eam_alloy_ext.cpp +++ b/lib/gpu/lal_eam_alloy_ext.cpp @@ -90,7 +90,7 @@ int eam_alloy_gpu_init(const int ntypes, double host_cutforcesq, nz2r, nfrho, nr, nlocal, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - EAMALMF.device->gpu_barrier(); + EAMALMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_eam_ext.cpp b/lib/gpu/lal_eam_ext.cpp index a884335bd9..f3e16a9589 100644 --- a/lib/gpu/lal_eam_ext.cpp +++ b/lib/gpu/lal_eam_ext.cpp @@ -90,7 +90,7 @@ int eam_gpu_init(const int ntypes, double host_cutforcesq, nz2r, nfrho, nr, nlocal, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - EAMMF.device->gpu_barrier(); + EAMMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_eam_fs_ext.cpp b/lib/gpu/lal_eam_fs_ext.cpp index 5aad871237..72bf439a4d 100644 --- a/lib/gpu/lal_eam_fs_ext.cpp +++ b/lib/gpu/lal_eam_fs_ext.cpp @@ -90,7 +90,7 @@ int eam_fs_gpu_init(const int ntypes, double host_cutforcesq, nz2r, nfrho, nr, nlocal, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - EAMFSMF.device->gpu_barrier(); + EAMFSMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_gauss_ext.cpp b/lib/gpu/lal_gauss_ext.cpp index afec2e86f2..2e00223ac9 100644 --- a/lib/gpu/lal_gauss_ext.cpp +++ b/lib/gpu/lal_gauss_ext.cpp @@ -76,7 +76,7 @@ int gauss_gpu_init(const int ntypes, double **cutsq, double **host_a, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - GLMF.device->gpu_barrier(); + GLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -106,7 +106,7 @@ void gauss_gpu_reinit(const int ntypes, double **cutsq, double **host_a, if (gpu_rank==i && world_me!=0) GLMF.reinit(ntypes, cutsq, host_a, host_b, offset); - GLMF.device->gpu_barrier(); + GLMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_gayberne_ext.cpp b/lib/gpu/lal_gayberne_ext.cpp index 56aad61632..864da8e7ad 100644 --- a/lib/gpu/lal_gayberne_ext.cpp +++ b/lib/gpu/lal_gayberne_ext.cpp @@ -83,7 +83,7 @@ int gb_gpu_init(const int ntypes, const double gamma, host_lj3, host_lj4, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - GBMF.device->gpu_barrier(); + GBMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj96_ext.cpp b/lib/gpu/lal_lj96_ext.cpp index be7ffc5a09..b8d191d31e 100644 --- a/lib/gpu/lal_lj96_ext.cpp +++ b/lib/gpu/lal_lj96_ext.cpp @@ -76,7 +76,7 @@ int lj96_gpu_init(const int ntypes, double **cutsq, double **host_lj1, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - LJ96MF.device->gpu_barrier(); + LJ96MF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_class2_long_ext.cpp b/lib/gpu/lal_lj_class2_long_ext.cpp index 311b027536..66eda209c1 100644 --- a/lib/gpu/lal_lj_class2_long_ext.cpp +++ b/lib/gpu/lal_lj_class2_long_ext.cpp @@ -81,7 +81,7 @@ int c2cl_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - C2CLMF.device->gpu_barrier(); + C2CLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_coul_debye_ext.cpp b/lib/gpu/lal_lj_coul_debye_ext.cpp index 4f81b01457..c6c9baef0f 100644 --- a/lib/gpu/lal_lj_coul_debye_ext.cpp +++ b/lib/gpu/lal_lj_coul_debye_ext.cpp @@ -81,7 +81,7 @@ int ljcd_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, kappa); - LJCDMF.device->gpu_barrier(); + LJCDMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_coul_ext.cpp b/lib/gpu/lal_lj_coul_ext.cpp index 5b7f97e630..4011f4bb8c 100644 --- a/lib/gpu/lal_lj_coul_ext.cpp +++ b/lib/gpu/lal_lj_coul_ext.cpp @@ -80,7 +80,7 @@ int ljc_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e); - LJCMF.device->gpu_barrier(); + LJCMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_coul_long_ext.cpp b/lib/gpu/lal_lj_coul_long_ext.cpp index 6a027bdc7e..578e38e4a0 100644 --- a/lib/gpu/lal_lj_coul_long_ext.cpp +++ b/lib/gpu/lal_lj_coul_long_ext.cpp @@ -81,7 +81,7 @@ int ljcl_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - LJCLMF.device->gpu_barrier(); + LJCLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -112,7 +112,7 @@ void ljcl_gpu_reinit(const int ntypes, double **cutsq, double **host_lj1, if (gpu_rank==i && world_me!=0) LJCLMF.reinit(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4, offset, host_cut_ljsq); - LJCLMF.device->gpu_barrier(); + LJCLMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_lj_coul_msm_ext.cpp b/lib/gpu/lal_lj_coul_msm_ext.cpp index 2d9d77fe77..05b1991ff9 100644 --- a/lib/gpu/lal_lj_coul_msm_ext.cpp +++ b/lib/gpu/lal_lj_coul_msm_ext.cpp @@ -83,7 +83,7 @@ int ljcm_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, order, qqrd2e); - LJCMLMF.device->gpu_barrier(); + LJCMLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_cubic_ext.cpp b/lib/gpu/lal_lj_cubic_ext.cpp index 2f8ebac37b..d11199cee9 100644 --- a/lib/gpu/lal_lj_cubic_ext.cpp +++ b/lib/gpu/lal_lj_cubic_ext.cpp @@ -80,7 +80,7 @@ int ljcb_gpu_init(const int ntypes, double **cutsq, double **cut_inner_sq, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - LJCubicLMF.device->gpu_barrier(); + LJCubicLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_dsf_ext.cpp b/lib/gpu/lal_lj_dsf_ext.cpp index e70059261c..c1e5b2de38 100644 --- a/lib/gpu/lal_lj_dsf_ext.cpp +++ b/lib/gpu/lal_lj_dsf_ext.cpp @@ -84,7 +84,7 @@ int ljd_gpu_init(const int ntypes, double **cutsq, double **host_lj1, host_cut_coulsq, host_special_coul, qqrd2e, e_shift, f_shift, alpha); - LJDMF.device->gpu_barrier(); + LJDMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_expand_coul_long_ext.cpp b/lib/gpu/lal_lj_expand_coul_long_ext.cpp index e5506dd7aa..a6a04d7cc8 100644 --- a/lib/gpu/lal_lj_expand_coul_long_ext.cpp +++ b/lib/gpu/lal_lj_expand_coul_long_ext.cpp @@ -81,7 +81,7 @@ int ljecl_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - LJECLMF.device->gpu_barrier(); + LJECLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -112,7 +112,7 @@ void ljecl_gpu_reinit(const int ntypes, double **cutsq, double **host_lj1, if (gpu_rank==i && world_me!=0) LJECLMF.reinit(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4, offset, shift, host_cut_ljsq); - LJECLMF.device->gpu_barrier(); + LJECLMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_lj_expand_ext.cpp b/lib/gpu/lal_lj_expand_ext.cpp index 02decf2712..7d2e0fd306 100644 --- a/lib/gpu/lal_lj_expand_ext.cpp +++ b/lib/gpu/lal_lj_expand_ext.cpp @@ -108,7 +108,7 @@ void lje_gpu_reinit(const int ntypes, double **cutsq, double **host_lj1, if (gpu_rank==i && world_me!=0) LJEMF.reinit(ntypes, cutsq, host_lj1, host_lj2, host_lj3, host_lj4, offset, shift); - LJEMF.device->gpu_barrier(); + LJEMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_lj_ext.cpp b/lib/gpu/lal_lj_ext.cpp index fa00fc4f64..9a1d03780d 100644 --- a/lib/gpu/lal_lj_ext.cpp +++ b/lib/gpu/lal_lj_ext.cpp @@ -76,7 +76,7 @@ int ljl_gpu_init(const int ntypes, double **cutsq, double **host_lj1, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - LJLMF.device->gpu_barrier(); + LJLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -105,7 +105,7 @@ void ljl_gpu_reinit(const int ntypes, double **cutsq, double **host_lj1, for (int i=0; igpu_barrier(); + LJLMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_lj_gromacs_ext.cpp b/lib/gpu/lal_lj_gromacs_ext.cpp index 19d1d12513..289b6a30a3 100644 --- a/lib/gpu/lal_lj_gromacs_ext.cpp +++ b/lib/gpu/lal_lj_gromacs_ext.cpp @@ -81,7 +81,7 @@ int ljgrm_gpu_init(const int ntypes, double **cutsq, double **host_lj1, gpu_split, screen, host_ljsw1, host_ljsw2, host_ljsw3, host_ljsw4, host_ljsw5, cut_inner, cut_inner_sq); - LJGRMMF.device->gpu_barrier(); + LJGRMMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_smooth_ext.cpp b/lib/gpu/lal_lj_smooth_ext.cpp index 48dad74071..5d392d163f 100644 --- a/lib/gpu/lal_lj_smooth_ext.cpp +++ b/lib/gpu/lal_lj_smooth_ext.cpp @@ -80,7 +80,7 @@ int ljsmt_gpu_init(const int ntypes, double **cutsq, double **host_lj1, cell_size, gpu_split, screen, host_ljsw0, host_ljsw1, host_ljsw2, host_ljsw3, host_ljsw4, cut_inner, cut_inner_sq); - LJSMTMF.device->gpu_barrier(); + LJSMTMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -110,7 +110,7 @@ void ljsmt_gpu_reinit(const int ntypes, double **cutsq, double **host_lj1, for (int i=0; igpu_barrier(); + LJSMTMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_lj_spica_ext.cpp b/lib/gpu/lal_lj_spica_ext.cpp index 1467c1806a..119e40ee33 100644 --- a/lib/gpu/lal_lj_spica_ext.cpp +++ b/lib/gpu/lal_lj_spica_ext.cpp @@ -77,7 +77,7 @@ int spica_gpu_init(const int ntypes, double **cutsq, int **cg_types, host_lj4, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - CMMMF.device->gpu_barrier(); + CMMMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_spica_long_ext.cpp b/lib/gpu/lal_lj_spica_long_ext.cpp index 293801391f..298fde2fd5 100644 --- a/lib/gpu/lal_lj_spica_long_ext.cpp +++ b/lib/gpu/lal_lj_spica_long_ext.cpp @@ -81,7 +81,7 @@ int spical_gpu_init(const int ntypes, double **cutsq, int **cg_type, maxspecial, cell_size, gpu_split, screen, host_cut_ljsq, host_cut_coulsq, host_special_coul, qqrd2e, g_ewald); - CMMLMF.device->gpu_barrier(); + CMMLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_lj_tip4p_long_ext.cpp b/lib/gpu/lal_lj_tip4p_long_ext.cpp index 7395506c2d..1733772618 100644 --- a/lib/gpu/lal_lj_tip4p_long_ext.cpp +++ b/lib/gpu/lal_lj_tip4p_long_ext.cpp @@ -89,7 +89,7 @@ int ljtip4p_long_gpu_init(const int ntypes, double **cutsq, double **host_lj1, host_special_coul, qqrd2e, g_ewald, map_size, max_same); - LJTIP4PLMF.device->gpu_barrier(); + LJTIP4PLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_mie_ext.cpp b/lib/gpu/lal_mie_ext.cpp index 5cbb9c29d2..a7b549139a 100644 --- a/lib/gpu/lal_mie_ext.cpp +++ b/lib/gpu/lal_mie_ext.cpp @@ -80,7 +80,7 @@ int mie_gpu_init(const int ntypes, double **cutsq, double **host_mie1, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - MLMF.device->gpu_barrier(); + MLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_morse_ext.cpp b/lib/gpu/lal_morse_ext.cpp index f43676a1b5..41c1076f7d 100644 --- a/lib/gpu/lal_morse_ext.cpp +++ b/lib/gpu/lal_morse_ext.cpp @@ -77,7 +77,7 @@ int mor_gpu_init(const int ntypes, double **cutsq, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - MORMF.device->gpu_barrier(); + MORMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_pppm_ext.cpp b/lib/gpu/lal_pppm_ext.cpp index cf009b4479..bdb83378f7 100644 --- a/lib/gpu/lal_pppm_ext.cpp +++ b/lib/gpu/lal_pppm_ext.cpp @@ -81,7 +81,7 @@ grdtyp * pppm_gpu_init(memtyp &pppm, const int nlocal, const int nall, vd_brick,slab_volfactor,nx_pppm,ny_pppm,nz_pppm, split,success); - pppm.device->gpu_barrier(); + pppm.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_re_squared_ext.cpp b/lib/gpu/lal_re_squared_ext.cpp index e1eb8a45b0..17c508f1f1 100644 --- a/lib/gpu/lal_re_squared_ext.cpp +++ b/lib/gpu/lal_re_squared_ext.cpp @@ -80,7 +80,7 @@ int re_gpu_init(const int ntypes, double **shape, double **well, double **cutsq, host_lj4, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - REMF.device->gpu_barrier(); + REMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_soft_ext.cpp b/lib/gpu/lal_soft_ext.cpp index a32a5e5a00..879150ddd9 100644 --- a/lib/gpu/lal_soft_ext.cpp +++ b/lib/gpu/lal_soft_ext.cpp @@ -76,7 +76,7 @@ int soft_gpu_init(const int ntypes, double **cutsq, double **host_prefactor, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - SLMF.device->gpu_barrier(); + SLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -106,7 +106,7 @@ void soft_gpu_reinit(const int ntypes, double **cutsq, double **host_prefactor, if (gpu_rank==i && world_me!=0) SLMF.reinit(ntypes, cutsq, host_prefactor, host_cut); - SLMF.device->gpu_barrier(); + SLMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_sw_ext.cpp b/lib/gpu/lal_sw_ext.cpp index 5158f135a3..5aa3af8757 100644 --- a/lib/gpu/lal_sw_ext.cpp +++ b/lib/gpu/lal_sw_ext.cpp @@ -84,7 +84,7 @@ int sw_gpu_init(const int ntypes, const int inum, const int nall, sigma_gamma, c1, c2, c3, c4, c5, c6, lambda_epsilon, costheta, map, e2param); - SWMF.device->gpu_barrier(); + SWMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_table_ext.cpp b/lib/gpu/lal_table_ext.cpp index 6237c4d7cd..8fc118c770 100644 --- a/lib/gpu/lal_table_ext.cpp +++ b/lib/gpu/lal_table_ext.cpp @@ -76,7 +76,7 @@ int table_gpu_init(const int ntypes, double **cutsq, double ***table_coeffs, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen, tabstyle, ntables, tablength); - TBMF.device->gpu_barrier(); + TBMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_tersoff_ext.cpp b/lib/gpu/lal_tersoff_ext.cpp index ac700d014a..5092809344 100644 --- a/lib/gpu/lal_tersoff_ext.cpp +++ b/lib/gpu/lal_tersoff_ext.cpp @@ -91,7 +91,7 @@ int tersoff_gpu_init(const int ntypes, const int inum, const int nall, const int ts_c1, ts_c2, ts_c3, ts_c4, ts_c, ts_d, ts_h, ts_gamma, ts_beta, ts_powern, ts_cutsq); - TSMF.device->gpu_barrier(); + TSMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_tersoff_mod_ext.cpp b/lib/gpu/lal_tersoff_mod_ext.cpp index cac284fb70..7310191a5d 100644 --- a/lib/gpu/lal_tersoff_mod_ext.cpp +++ b/lib/gpu/lal_tersoff_mod_ext.cpp @@ -91,7 +91,7 @@ int tersoff_mod_gpu_init(const int ntypes, const int inum, const int nall, ts_c3, ts_c4, ts_c5, ts_h, ts_beta, ts_powern, ts_powern_del, ts_ca1, ts_cutsq); - TSMMF.device->gpu_barrier(); + TSMMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_tersoff_zbl_ext.cpp b/lib/gpu/lal_tersoff_zbl_ext.cpp index 518b535627..ad3538b464 100644 --- a/lib/gpu/lal_tersoff_zbl_ext.cpp +++ b/lib/gpu/lal_tersoff_zbl_ext.cpp @@ -102,7 +102,7 @@ int tersoff_zbl_gpu_init(const int ntypes, const int inum, const int nall, ts_ZBLcut, ts_ZBLexpscale, global_e, global_a_0, global_epsilon_0, ts_cutsq); - TSZMF.device->gpu_barrier(); + TSZMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_ufm_ext.cpp b/lib/gpu/lal_ufm_ext.cpp index 432cbb2e63..3f6740f934 100644 --- a/lib/gpu/lal_ufm_ext.cpp +++ b/lib/gpu/lal_ufm_ext.cpp @@ -78,7 +78,7 @@ int ufml_gpu_init(const int ntypes, double **cutsq, double **host_uf1, offset, special_lj, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - UFMLMF.device->gpu_barrier(); + UFMLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } @@ -106,7 +106,7 @@ void ufml_gpu_reinit(const int ntypes, double **cutsq, double **host_uf1, for (int i=0; igpu_barrier(); + UFMLMF.device->serialize_init(); } } diff --git a/lib/gpu/lal_vashishta_ext.cpp b/lib/gpu/lal_vashishta_ext.cpp index ecbdefed19..2567688a74 100644 --- a/lib/gpu/lal_vashishta_ext.cpp +++ b/lib/gpu/lal_vashishta_ext.cpp @@ -89,7 +89,7 @@ int vashishta_gpu_init(const int ntypes, const int inum, const int nall, const i lam4inv, zizj, mbigd, dvrc, big6w, heta, bigh, bigw, c0, costheta, bigb, big2b, bigc); - VashishtaMF.device->gpu_barrier(); + VashishtaMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_yukawa_colloid_ext.cpp b/lib/gpu/lal_yukawa_colloid_ext.cpp index db86f91689..990a208c3c 100644 --- a/lib/gpu/lal_yukawa_colloid_ext.cpp +++ b/lib/gpu/lal_yukawa_colloid_ext.cpp @@ -76,7 +76,7 @@ int ykcolloid_gpu_init(const int ntypes, double **cutsq, double **host_a, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen, kappa); - YKCOLLMF.device->gpu_barrier(); + YKCOLLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_yukawa_ext.cpp b/lib/gpu/lal_yukawa_ext.cpp index cf2bf89e3d..062bf8d101 100644 --- a/lib/gpu/lal_yukawa_ext.cpp +++ b/lib/gpu/lal_yukawa_ext.cpp @@ -76,7 +76,7 @@ int yukawa_gpu_init(const int ntypes, double **cutsq, double kappa, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - YKMF.device->gpu_barrier(); + YKMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); } diff --git a/lib/gpu/lal_zbl_ext.cpp b/lib/gpu/lal_zbl_ext.cpp index ee7794af2d..e052380546 100644 --- a/lib/gpu/lal_zbl_ext.cpp +++ b/lib/gpu/lal_zbl_ext.cpp @@ -79,7 +79,7 @@ int zbl_gpu_init(const int ntypes, double **cutsq, double **host_sw1, cut_globalsq, cut_innersq, cut_inner, inum, nall, max_nbors, maxspecial, cell_size, gpu_split, screen); - ZBLMF.device->gpu_barrier(); + ZBLMF.device->serialize_init(); if (message) fprintf(screen,"Done.\n"); }