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Lukasz Laniewski-Wollk
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Merge remote-tracking branch 'origin/master' into develop
2 parents 966c6a5 + ded67cd commit 1813fc5

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14 files changed

+288
-46
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14 files changed

+288
-46
lines changed

‎.github/actions/install/action.yaml‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -133,7 +133,7 @@ runs:
133133
VER="${{ inputs.cuda }}"
134134
if test "$VER" == "true"
135135
then
136-
VER="11.7"
136+
VER="12.9"
137137
fi
138138
tools/install.sh ${{inputs.options}} cuda $VER
139139
CUDA_PATH=/usr/local/cuda-$VER
@@ -147,7 +147,7 @@ runs:
147147
VER="${{ inputs.hip }}"
148148
if test "$VER" == "true"
149149
then
150-
VER="5.4.1"
150+
VER="6.4.4"
151151
fi
152152
tools/install.sh ${{inputs.options}} hip $VER
153153
- if: inputs.openmpi != 'false'

‎.github/workflows/cpu_test.yml‎

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Original file line numberDiff line numberDiff line change
@@ -57,6 +57,7 @@ jobs:
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- name: Gather coverage data
5858
uses: ./.github/actions/coverage
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id: coverage
60+
continue-on-error: true
6061
- name: Send coverage data
6162
uses: codecov/codecov-action@v3
6263
if: steps.coverage.outputs.reports != ''

‎.github/workflows/gpu_comp.yml‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -27,7 +27,7 @@ jobs:
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rdep: true
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openmpi: true
2929
rinside: true
30-
cuda: 11.7
30+
cuda: true
3131
- name: Configure
3232
uses: ./.github/actions/configure
3333
with:

‎.github/workflows/hip_comp.yml‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -27,7 +27,7 @@ jobs:
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rdep: true
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openmpi: true
2929
rinside: true
30-
hip: 5.4.1
30+
hip: true
3131
- name: Configure
3232
uses: ./.github/actions/configure
3333
with:

‎.github/workflows/rinside.yaml‎

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Original file line numberDiff line numberDiff line change
@@ -47,6 +47,7 @@ jobs:
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precision: ${{ matrix.precision }}
4848
- name: Compile
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uses: ./.github/actions/compile
50+
continue-on-error: ${{ matrix.arch == 'hip' }}
5051
with:
5152
model: ${{ matrix.model }}
5253
- if: matrix.test

‎example/data/pipe2x1.stl‎

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‎example/data/plane1x1.stl‎

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‎example/particle/3d/cylinder.xml‎

Lines changed: 85 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,85 @@
1+
<?xml version="1.0"?>
2+
<CLBConfig version="2.0" permissive="true" output="output/">
3+
<Units>
4+
<!-- particle diameter 0.0150m -->
5+
<Param name="X1" value="0.180m" gauge="1x"/>
6+
<Param name="X2" value="1x" gauge="64"/>
7+
<Param name="Y" value="0.090m" gauge="1y"/>
8+
<Param name="nu" value="0.01m2/s" gauge="0.16666"/>
9+
<!-- time step 1/s-->
10+
<Param name="rho" value="1kg/m3" gauge="1"/>
11+
</Units>
12+
<Geometry nx="1x" ny="1y+2" nz="1y+2" py="-0.5y-1" pz="-0.5y-1">
13+
<BGK><Box/></BGK>
14+
<Wall mask="ALL">
15+
<STL file="example/data/pipe2x1.stl" scale="1y" y="0.5y+1" z="0.5y+1" side="out" ray_axis="y"/>
16+
</Wall>
17+
</Geometry>
18+
<Model>
19+
<Param name="nu" value="0.01m2/s"/>
20+
<Param name="aX_mean" value="1Pa/m"/>
21+
<RemoteForceInterface integrator="LAMMPS">
22+
units cgs
23+
boundary p f f
24+
newton off # required off for tangential history
25+
atom_style sphere
26+
atom_modify map array
27+
atom_modify sort 1 0.4
28+
communicate single vel yes
29+
processors * 1 1
30+
31+
neighbor 0.006 bin # ensure skin distance + rp_lrg + rp_sml > dp_lrg
32+
neigh_modify delay 0
33+
34+
# Declare domain
35+
region domain block 0 0.18 -0.045 0.045 -0.045 0.045
36+
create_box 1 domain
37+
38+
# Specify particle groups
39+
group particle_group type 1
40+
41+
# Define region for particle insertion
42+
region pack cylinder x 0 0 0.0375 0 0.12
43+
44+
# Insert particles
45+
fix part_1 particle_group particletemplate/sphere 17891 atom_type 1 density constant 1.0 radius constant 0.0075000000
46+
fix dist particle_group particledistribution/discrete 18143 1 part_1 1
47+
fix ins particle_group insert/pack seed 100003 distributiontemplate dist maxattempt 500 insert_every once overlapcheck yes all_in yes region pack volumefraction_region 0.050000 check_dist_from_subdomain_border no
48+
run 1
49+
50+
# Specify particle groups
51+
group particle_group type 1
52+
53+
# Define material properties (from which kn kt etc. are calculated for hertz interactions)
54+
soft_particles yes
55+
fix m1 all property/global youngsModulus peratomtype 3000.000000 # defines kn, kt, gamma_n, gamma_t
56+
fix m2 all property/global poissonsRatio peratomtype 0.5 # defines kn, kt, gamma_n, gamma_t
57+
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.8 # defines damping, must be >0.05
58+
fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # defines friction
59+
60+
fix frac_wall all mesh/surface file example/data/pipe2x1.stl type 1 scale 0.09 move 0 0 0
61+
62+
# Define physics for particle interactions
63+
pair_style gran model hertz tangential history # 'tangential off' sets Ft=0; 'tangential no_history' incorporates damping to Ft, sets kt=0; 'tangential history' incorporate kt and damping into Ft
64+
pair_coeff * *
65+
66+
fix granwalls all wall/gran model hertz tangential history mesh n_meshes 1 meshes frac_wall
67+
68+
# Apply integration
69+
fix integr particle_group nve/sphere
70+
71+
# Couple to TCLB
72+
fix tclb all external pf/callback 1 1
73+
74+
dump vtk_dump all atom/vtk 1000 ${output}_part_*.vtu
75+
76+
timestep ${timestep}
77+
78+
run 50000
79+
</RemoteForceInterface>
80+
</Model>
81+
<!-- <VTK Iterations="1000" what="U,Solid"/> -->
82+
<Log Iterations="100"/>
83+
<VTK Iterations="1000"/>
84+
<Solve Iterations="50000"/>
85+
</CLBConfig>

‎example/particle/3d/shear1.xml‎

Lines changed: 94 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,94 @@
1+
<?xml version="1.0"?>
2+
<CLBConfig version="2.0" permissive="true" output="output/">
3+
<Units>
4+
<Param name="H" value="1m" gauge="32"/>
5+
<Param name="L" value="1x" gauge="1m"/>
6+
<Param name="nu" value="1m2/s" gauge="0.16"/><!-- 1s -->
7+
<Param name="rho" value="1kg/m3" gauge="1"/>
8+
</Units>
9+
<Geometry nx="1x" ny="1m+2" nz="1x" px="-0.5x" py="-1" pz="-0.5x">
10+
<BGK><Box/></BGK>
11+
<MovingWall_N mask="ALL" name="topwall"><Box dy="-1"/></MovingWall_N>
12+
<Wall mask="ALL"><Box ny="1"/></Wall>
13+
</Geometry>
14+
<Model>
15+
<Param name="VelocityX" value="1m/s" zone="topwall"/>
16+
<RemoteForceInterface integrator="LAMMPS" radius="3/m" height="1m/m" length="1x/m" iterations="5s" vtk_it="1s" log_it="100">
17+
units cgs
18+
boundary p f f
19+
newton off # required off for tangential history
20+
atom_style sphere
21+
atom_modify map array
22+
atom_modify sort 1 0.4
23+
communicate single vel yes
24+
processors * 1 1
25+
26+
neighbor 0.006 bin # ensure skin distance + rp_lrg + rp_sml > dp_lrg
27+
neigh_modify delay 0
28+
29+
# Declare domain
30+
variable len2 equal ${length}*0.5
31+
region domain block -${len2} ${len2} 0 ${height} -${len2} ${len2}
32+
create_box 1 domain
33+
34+
# Specify particle groups
35+
group particle_group type 1
36+
37+
# Define region for particle insertion
38+
region pack block -${len2} ${len2} 0 ${height} -${len2} ${len2}
39+
40+
# Insert particles
41+
fix part_1 particle_group particletemplate/sphere 17891 atom_type 1 density constant 1.0 radius constant ${radius}
42+
fix dist particle_group particledistribution/discrete 18143 1 part_1 1
43+
fix ins particle_group insert/pack seed 100003 distributiontemplate dist maxattempt 500 insert_every once overlapcheck yes all_in yes region pack volumefraction_region 0.30000 check_dist_from_subdomain_border no
44+
run 1
45+
46+
# Specify particle groups
47+
group particle_group type 1
48+
49+
# Define material properties (from which kn kt etc. are calculated for hertz interactions)
50+
soft_particles yes
51+
fix m1 all property/global youngsModulus peratomtype 30000.000000 # defines kn, kt, gamma_n, gamma_t
52+
fix m2 all property/global poissonsRatio peratomtype 0.5 # defines kn, kt, gamma_n, gamma_t
53+
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.8 # defines damping, must be >0.05
54+
fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # defines friction
55+
56+
fix topwall all mesh/surface/stress file example/data/plane1x1.stl type 1 scale ${length} rotate axis 1 0 0 angle 90 move -${len2} ${height} -${len2} surface_vel 1 0 0
57+
fix bottomwall all mesh/surface/stress file example/data/plane1x1.stl type 1 scale ${length} rotate axis 1 0 0 angle 90 move -${len2} 0 -${len2}
58+
59+
# Define physics for particle interactions
60+
pair_style gran model hertz tangential history # 'tangential off' sets Ft=0; 'tangential no_history' incorporates damping to Ft, sets kt=0; 'tangential history' incorporate kt and damping into Ft
61+
pair_coeff * *
62+
63+
fix granwalls all wall/gran model hertz tangential history mesh n_meshes 2 meshes topwall bottomwall
64+
65+
# Apply integration
66+
fix integr particle_group nve/sphere
67+
68+
# Couple to TCLB
69+
fix tclb all external pf/callback 1 1
70+
71+
variable time equal step*dt
72+
variable tfx equal f_topwall[1]
73+
variable tfy equal f_topwall[2]
74+
variable tfz equal f_topwall[3]
75+
variable bfx equal f_bottomwall[1]
76+
variable bfy equal f_bottomwall[2]
77+
variable bfz equal f_bottomwall[3]
78+
dump forces all mesh/vtk ${vtk_it} ${output}_wall_*.vtk output interpolate id stress stresscomponents
79+
fix forceslog all print ${log_it} "${time},${tfx},${tfy},${tfz},${bfx},${bfy},${bfz}" file ${output}_forces.csv title "t,tFx,tFy,tFz,bFx,bFy,bFz" screen no
80+
81+
dump vtk_dump all atom/vtk ${vtk_it} ${output}_part_*.vtu
82+
83+
84+
timestep ${timestep}
85+
86+
run ${iterations}
87+
</RemoteForceInterface>
88+
</Model>
89+
<!-- <VTK Iterations="1000" what="U,Solid"/> -->
90+
<!-- 10s 1.8m/s 0.01Pa 1/Pa-->
91+
<Log Iterations="100"/>
92+
<VTK Iterations="5s"/>
93+
<Solve Iterations="5s"/>
94+
</CLBConfig>

‎src/Handlers/acRemoteForceInterface.cpp‎

Lines changed: 29 additions & 23 deletions
Original file line numberDiff line numberDiff line change
@@ -15,7 +15,6 @@ int acRemoteForceInterface::Init () {
1515

1616
int acRemoteForceInterface::ConnectRemoteForceInterface(std::string integrator_) {
1717
output("Connecting RFI to %s\n",integrator_.c_str());
18-
pugi::xml_attribute attr;
1918
double units[3];
2019
units[0] = solver->units.alt("1m");
2120
units[1] = solver->units.alt("1s");
@@ -44,22 +43,38 @@ int acRemoteForceInterface::ConnectRemoteForceInterface(std::string integrator_)
4443
}
4544
}
4645
if (node_children > 0) solver->lattice->RFI.setVar("content", element_content);
46+
4747
bool stats = false;
4848
std::string stats_prefix = solver->outpath;
4949
stats_prefix = stats_prefix + "_RFI";
5050
int stats_iter = 200;
51-
52-
attr = node.attribute("stats");
53-
if (attr) stats = attr.as_bool();
54-
attr = node.attribute("stats_iter");
55-
if (attr) {
56-
stats_iter = solver->units.alt(attr.value());
57-
stats = true;
58-
}
59-
attr = node.attribute("stats_prefix");
60-
if (attr) {
61-
stats_prefix = attr.value();
62-
stats = true;
51+
bool use_box = true;
52+
53+
54+
for (pugi::xml_attribute attr = node.first_attribute(); attr; attr = attr.next_attribute()) {
55+
std::string attr_name = attr.name();
56+
if (attr_name == "integrator") {
57+
// ignore
58+
} else if (attr_name == "stats") {
59+
stats = attr.as_bool();
60+
} else if (attr_name == "stats_iter") {
61+
stats_iter = solver->units.alt(attr.value());
62+
stats = true;
63+
} else if (attr_name == "stats_prefix") {
64+
stats_prefix = attr.value();
65+
stats = true;
66+
} else if (attr_name == "use_box") {
67+
use_box = attr.as_bool();
68+
} else if (attr_name == "omega") {
69+
solver->lattice->RFI_omega = attr.as_bool();
70+
} else if (attr_name == "torque") {
71+
solver->lattice->RFI_torque = attr.as_bool();
72+
} else {
73+
double val = solver->units.alt(attr.value());
74+
char str[STRING_LEN];
75+
sprintf(str, "%.15lg", val);
76+
solver->lattice->RFI.setVar(attr.name(), str);
77+
}
6378
}
6479

6580
const auto lattice = solver->getCartLattice();
@@ -75,10 +90,6 @@ int acRemoteForceInterface::ConnectRemoteForceInterface(std::string integrator_)
7590
}
7691
integrator = integrator_;
7792

78-
bool use_box = true;
79-
attr = node.attribute("use_box");
80-
if (attr) use_box = attr.as_bool();
81-
8293
if (use_box) {
8394
lbRegion reg = lattice->getLocalRegion();
8495
double px = lattice->px;
@@ -93,15 +104,10 @@ int acRemoteForceInterface::ConnectRemoteForceInterface(std::string integrator_)
93104
pz + reg.dz + reg.nz + PART_MAR_BOX);
94105
}
95106

96-
attr = node.attribute("omega");
97-
if (attr) solver->lattice->RFI_omega = attr.as_bool();
98-
attr = node.attribute("torque");
99-
if (attr) solver->lattice->RFI_torque = attr.as_bool();
100-
101107
MPI_Barrier(MPMD.local);
102108
lattice->RFI.Connect(MPMD.work,inter.work);
103109

104-
return 0;
110+
return 0;
105111
}
106112

107113

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