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Merge pull request #207 from ludwig-cf/develop
Release 0.18.0
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,7 +1,17 @@ | ||
| language: c | ||
| cache: | ||
| - directories: | ||
| - mpi | ||
| before_install: | ||
| - bash ./config/build-mpi.sh | ||
| script: | ||
| - cp config/travis-gcc.mk ./config.mk | ||
| - make serial | ||
| - make | ||
| - export OMP_NUM_THREADS=1 | ||
| - make test | ||
| - make clean | ||
| - export PATH=$(pwd)/mpi/bin:${PATH} | ||
| - cp config/travis-mpicc.mk ./config.mk | ||
| - make | ||
| - make unit |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,27 @@ | ||
| #!/bin/bash | ||
|
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| set -e | ||
|
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| printf "MPI installation script at %s\n" "$(date)" | ||
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| my_prefix=$(pwd)/mpi | ||
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| if [ -f mpi/bin/mpicc ]; then | ||
| export PATH=${my_prefix}/bin:${PATH} | ||
| printf "Added existing local mpi to path:\n" | ||
| printf "PATH is %s\n" "${PATH}" | ||
| which mpicc | ||
| else | ||
| printf "%s %s\n" "Install MPI to prefix" "${my_prefix}" | ||
| wget https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.4.tar.gz | ||
| tar xf openmpi-4.1.4.tar.gz | ||
| cd openmpi-4.1.4 | ||
| ./configure CC=gcc CXX=g++ \ | ||
| --enable-mpi-fortran=no \ | ||
| --prefix=${my_prefix} | ||
| make -j 2 | ||
| make install | ||
| cd - | ||
| rm -rf openmpi-4.1.4.tar.gz | ||
| rm -rf openmpi-4.1.4 | ||
| fi |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,25 @@ | ||
| ############################################################################## | ||
| # | ||
| # travis-mpicc.mk | ||
| # | ||
| # Parallel unit tests | ||
| # | ||
| ############################################################################## | ||
|
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| BUILD = parallel | ||
| MODEL = -D_D3Q19_ | ||
|
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| CC = mpicc -fopenmp | ||
| CFLAGS = -O2 -g -Wall -Werror | ||
|
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| AR = ar | ||
| ARFLAGS = -cru | ||
| LDFLAGS = | ||
|
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| LAUNCH_SERIAL_CMD = | ||
| LAUNCH_MPIRUN_CMD = mpirun --oversubscribe | ||
| MPIRUN_NTASK_FLAG = -np | ||
|
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| # Unit tests only | ||
| MPIRUN_NTASK_UNIT = 4 | ||
|
|
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
|
|
@@ -8,7 +8,7 @@ | |
| * Edinburgh Soft Matter and Statistical Physics Group and | ||
| * Edinburgh Parallel Computing Centre | ||
| * | ||
| * (c) 2011-2021 The University of Edinburgh | ||
| * (c) 2011-2022 The University of Edinburgh | ||
| * | ||
| * Contributing authors: | ||
| * Kevin Stratford ([email protected]) | ||
|
|
@@ -209,21 +209,17 @@ __host__ int fe_lc_target(fe_lc_t * fe, fe_t ** target) { | |
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| __host__ int fe_lc_param_commit(fe_lc_t * fe) { | ||
|
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| int ia; | ||
| double e0_freq, t; | ||
| double e0[3]; | ||
| physics_t * phys = NULL; | ||
| PI_DOUBLE(pi); | ||
|
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| assert(fe); | ||
|
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| physics_ref(&phys); | ||
| physics_e0(phys, e0); | ||
| physics_e0_frequency(phys, &e0_freq); | ||
| physics_control_time(phys, &t); | ||
| for (ia = 0; ia < 3; ia++) { | ||
| fe->param->e0coswt[ia] = cos(2.0*pi*e0_freq*t)*e0[ia]; | ||
| } | ||
|
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| fe->param->coswt = cos(2.0*pi*e0_freq*t); | ||
|
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| tdpMemcpyToSymbol(tdpSymbol(const_param), fe->param, sizeof(fe_lc_param_t), | ||
| 0, tdpMemcpyHostToDevice); | ||
|
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@@ -388,8 +384,10 @@ __host__ __device__ int fe_lc_compute_fed(fe_lc_t * fe, double gamma, | |
|
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| efield = 0.0; | ||
| for (ia = 0; ia < 3; ia++) { | ||
| double ea = fe->param->e0[ia]*fe->param->coswt; | ||
| for (ib = 0; ib < 3; ib++) { | ||
| efield += fe->param->e0coswt[ia]*q[ia][ib]*fe->param->e0coswt[ib]; | ||
| double eb = fe->param->e0[ib]*fe->param->coswt; | ||
| efield += ea*q[ia][ib]*eb; | ||
| } | ||
| } | ||
|
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|
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@@ -1094,13 +1092,15 @@ int fe_lc_compute_h(fe_lc_t * fe, double gamma, double q[3][3], | |
|
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| e2 = 0.0; | ||
| for (ia = 0; ia < 3; ia++) { | ||
| e2 += fe->param->e0coswt[ia]*fe->param->e0coswt[ia]; | ||
| double ea = fe->param->e0[ia]*fe->param->coswt; | ||
| e2 += ea*ea; | ||
| } | ||
|
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| for (ia = 0; ia < 3; ia++) { | ||
| double ea = fe->param->e0[ia]*fe->param->coswt; | ||
| for (ib = 0; ib < 3; ib++) { | ||
| h[ia][ib] += fe->param->epsilon | ||
| *(fe->param->e0coswt[ia]*fe->param->e0coswt[ib] - r3*d[ia][ib]*e2); | ||
| double eb = fe->param->e0[ib]*fe->param->coswt; | ||
| h[ia][ib] += fe->param->epsilon*(ea*eb - r3*d[ia][ib]*e2); | ||
| } | ||
| } | ||
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@@ -1294,42 +1294,36 @@ int fe_lc_reduced_temperature(fe_lc_t * fe, double * tau) { | |
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| /***************************************************************************** | ||
| * | ||
| * fe_lc_dimensionless_field_strength | ||
| * fe_lc_dimensonless_field_strength | ||
| * | ||
| * Return the dimensionless (or reduced) field strength which is | ||
| * ered^2 = (27 epsilon / 32 pi A_O gamma) E_a E_a | ||
| * | ||
| * Return the dimensionless field strength which is | ||
| * e^2 = (27 epsilon / 32 pi A_O gamma) E_a E_a | ||
| * The external field is e0[3] in lattice units. No phase. | ||
| * | ||
| *****************************************************************************/ | ||
|
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| __host__ __device__ | ||
| int fe_lc_dimensionless_field_strength(fe_lc_t * fe, double * ered) { | ||
| __host__ int fe_lc_dimensionless_field_strength(const fe_lc_param_t * param, | ||
| double * ered) { | ||
|
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| int ia; | ||
| double a0; | ||
| double gamma; | ||
| double epsilon; | ||
| double fieldsq; | ||
| double e0[3]; | ||
| physics_t * phys = NULL; | ||
| double fieldsq = 0.0; | ||
| PI_DOUBLE(pi); | ||
|
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| assert(fe); | ||
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| physics_ref(&phys); | ||
| physics_e0(phys, e0); | ||
| assert(param); | ||
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| fieldsq = 0.0; | ||
| for (ia = 0; ia < 3; ia++) { | ||
| fieldsq += e0[ia]*e0[ia]; | ||
| for (int ia = 0; ia < 3; ia++) { | ||
| fieldsq += param->e0[ia]*param->e0[ia]; | ||
| } | ||
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| /* Remember epsilon is stored with factor (1/12pi) */ | ||
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| a0 = fe->param->a0; | ||
| gamma = fe->param->gamma; | ||
| epsilon = 12.0*pi*fe->param->epsilon; | ||
| { | ||
| double a0 = param->a0; | ||
| double gamma = param->gamma; | ||
| double epsilon = 12.0*pi*param->epsilon; | ||
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| *ered = sqrt(27.0*epsilon*fieldsq/(32.0*pi*a0*gamma)); | ||
| *ered = sqrt(27.0*epsilon*fieldsq/(32.0*pi*a0*gamma)); | ||
| } | ||
|
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| return 0; | ||
| } | ||
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@@ -1754,6 +1748,8 @@ void fe_lc_stress_v(fe_lc_t * fe, int index, double s[3][3][NSIMDVL]) { | |
| double * __restrict__ grad; | ||
| double * __restrict__ delsq; | ||
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| assert(fe); | ||
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| data = fe->q->data; | ||
| grad = fe->dq->grad; | ||
| delsq = fe->dq->delsq; | ||
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@@ -1791,7 +1787,40 @@ void fe_lc_stress_v(fe_lc_t * fe, int index, double s[3][3][NSIMDVL]) { | |
| for_simd_v(iv, NSIMDVL) dsq[Z][Z][iv] = 0.0 - dsq[X][X][iv] - dsq[Y][Y][iv]; | ||
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| fe_lc_compute_h_v(fe, q, dq, dsq, h); | ||
| #ifndef AMD_GPU_WORKAROUND | ||
| /* Standard computation. */ | ||
| fe_lc_compute_stress_v(fe, q, dq, h, s); | ||
| #else | ||
| { | ||
| /* This is avoiding what appears to be a spurious memory access | ||
| * error arising from the unrolled stress. It's not entirely | ||
| * clear where this is coming form at the moment (beyond | ||
| * "something to do with optimisation" */ | ||
| int ia, ib; | ||
| double q1[3][3]; | ||
| double dq1[3][3][3]; | ||
| double h1[3][3]; | ||
| double s1[3][3]; | ||
|
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| for (iv = 0; iv < NSIMDVL; iv++) { | ||
| for (ia = 0; ia < 3; ia++) { | ||
| for (ib = 0; ib < 3; ib++) { | ||
| q1[ia][ib] = q[ia][ib][iv]; | ||
| dq1[0][ia][ib] = dq[0][ia][ib][iv]; | ||
| dq1[1][ia][ib] = dq[1][ia][ib][iv]; | ||
| dq1[2][ia][ib] = dq[2][ia][ib][iv]; | ||
| h1[ia][ib] = h[ia][ib][iv]; | ||
| } | ||
| } | ||
| fe_lc_compute_stress(fe, q1, dq1, h1, s1); | ||
| for (ia = 0; ia < 3; ia++) { | ||
| for (ib = 0; ib < 3; ib++) { | ||
| s[ia][ib][iv] = s1[ia][ib]; | ||
| } | ||
| } | ||
| } | ||
| } | ||
| #endif | ||
|
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| if (fe->param->is_active) { | ||
| int ib; | ||
|
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@@ -2024,9 +2053,11 @@ void fe_lc_compute_fed_v(fe_lc_t * fe, | |
| for_simd_v(iv, NSIMDVL) efield[iv] = 0.0; | ||
|
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| for (ia = 0; ia < 3; ia++) { | ||
| double ea = fe->param->e0[ia]*fe->param->coswt; | ||
| for (ib = 0; ib < 3; ib++) { | ||
| double eb = fe->param->e0[ib]*fe->param->coswt; | ||
| for_simd_v(iv, NSIMDVL) { | ||
| efield[iv] += fe->param->e0coswt[ia]*q[ia][ib][iv]*fe->param->e0coswt[ib]; | ||
| efield[iv] += ea*q[ia][ib][iv]*eb; | ||
| } | ||
| } | ||
| } | ||
|
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@@ -2059,7 +2090,7 @@ void fe_lc_compute_fed_v(fe_lc_t * fe, | |
| * | ||
| *****************************************************************************/ | ||
|
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| __host__ __device__ __inline__ | ||
| __host__ __device__ | ||
| void fe_lc_compute_h_v(fe_lc_t * fe, | ||
| double q[3][3][NSIMDVL], | ||
| double dq[3][3][3][NSIMDVL], | ||
|
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@@ -2217,16 +2248,18 @@ void fe_lc_compute_h_v(fe_lc_t * fe, | |
| for_simd_v(iv, NSIMDVL) e2[iv] = 0.0; | ||
|
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| for (ia = 0; ia < 3; ia++) { | ||
| double ea = fe->param->e0[ia]*fe->param->coswt; | ||
| for_simd_v(iv, NSIMDVL) { | ||
| e2[iv] += fe->param->e0coswt[ia]*fe->param->e0coswt[ia]; | ||
| e2[iv] += ea*ea; | ||
| } | ||
| } | ||
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| for (ia = 0; ia < 3; ia++) { | ||
| double ea = fe->param->e0[ia]*fe->param->coswt; | ||
| for (ib = 0; ib < 3; ib++) { | ||
| double eb = fe->param->e0[ib]*fe->param->coswt; | ||
| for_simd_v(iv, NSIMDVL) { | ||
| h[ia][ib][iv] += fe->param->epsilon* | ||
| (fe->param->e0coswt[ia]*fe->param->e0coswt[ib] - r3*d[ia][ib]*e2[iv]); | ||
| h[ia][ib][iv] += fe->param->epsilon*(ea*eb - r3*d[ia][ib]*e2[iv]); | ||
| } | ||
| } | ||
| } | ||
|
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