Installation in CentOS 7.4

Submitted by Lowered on Fri, 05/18/2018 - 13:44

Dear all,

finally I managed installing OF 5.x on the CentOS machine.
Then I tried to install CFDEMCoupling the following way:


cd $HOME
mkdir CFDEM
cd CFDEM
git clone git://github.com/CFDEMproject/CFDEMcoupling-PUBLIC.git
cd $HOME
mkdir LIGGGHTS
cd LIGGGHTS
git clone git://github.com/CFDEMproject/LIGGGHTS-PUBLIC.git
git clone git://github.com/CFDEMproject/LPP.git lpp

renaming


cd $HOME/CFDEM
mv CFDEMcoupling-PUBLIC CFDEMcoupling-PUBLIC-$WM_PROJECT_VERSION

adding standard block to bashrc


#================================================#
#- source cfdem env vars
export CFDEM_VERSION=PUBLIC
export CFDEM_PROJECT_DIR=$HOME/CFDEM/CFDEMcoupling-$CFDEM_VERSION-$WM_PROJECT_VERSION
export CFDEM_PROJECT_USER_DIR=$HOME/CFDEM/$LOGNAME-$CFDEM_VERSION-$WM_PROJECT_VERSION
export CFDEM_bashrc=$CFDEM_PROJECT_DIR/src/lagrangian/cfdemParticle/etc/bashrc
export CFDEM_LIGGGHTS_SRC_DIR=$HOME/LIGGGHTS/LIGGGHTS-PUBLIC/src
export CFDEM_LIGGGHTS_MAKEFILE_NAME=auto
export CFDEM_LPP_DIR=$HOME/LIGGGHTS/lpp/src
. $CFDEM_bashrc
#================================================#

Now when I source the bashrc there are some errors occuring in bashrc of CFDEM after sending y to y/n query:
line 300 = not found

when I build the folders that are created in this section on my own, I get rid of this problem.
But after source is finished, bash and mkdir are not known any more in shell environment
(comes up when I try to run cfdemSysTest)

Does anybody know whats wrong?
Seems like PATH is rewritten by the bash file. How to solve this?

I'm using intel17.0 compiler (Icc) and INTELMPI

Thank's in advance
Henrik

Lowered | Fri, 05/25/2018 - 14:42

Hello,

I think there is some error in the bashrc, starting from line 49.
There is a function, that modifies PATH. But instead of adding the CFDEM library_path it'S overwrithing everything inside of PATH. So terminal is loosing all it's libraries.

Does anybody know how to fix this?

Thank's a lot
Henrik

Lowered | Tue, 06/19/2018 - 15:38

Hello again,

the problems in the bashrc may have been caused by zsh. After switching terminal to bash this part is finished.
Now I'm able to source the file.
When I try to build LIGGGHTS using make auto, I only get some error messages, which didn't tell anything to me:

bash-4.2$ make auto
Creating list of contact models completed.
Warning: MPICXX compiler is g++ but icpc. Thus, setting the MPICH cxx compiler to icpc.
make[1]: Entering directory `/rwthfs/rz/cluster/home/esch_007/LIGGGHTS/LIGGGHTS-PUBLIC/src/Obj_auto'
Makefile:499: *** 'Could not compile and link a simple MPI example. Test was done with MPI_LIB='. Stop.
make[1]: Leaving directory `/rwthfs/rz/cluster/home/esch_007/LIGGGHTS/LIGGGHTS-PUBLIC/src/Obj_auto'
make: *** [auto] Error 2

Since I'm working on centOS cluster, I would like to use modules for compiler and mpi, this settings are done before compiling.
I'm using intel/17.0 compiler and intelmpi
It seems something is not known in makefile.auto

So I modified a makefile in order to name the pathes of the modules intel/17.0 and intelmpi
that leads to:

Creating list of contact models completed.
make[1]: Entering directory `/rwthfs/rz/cluster/home/esch_007/LIGGGHTS/LIGGGHTS-PUBLIC/src/Obj_rwth'
g -qopenmp -O2 -O3 -ip -xSSE4.2 -axCORE-AVX2,AVX -fp-model fast=2 -no-offload -fno-alias -unroll0 -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_MEMALIGN=64 -DLAMMPS_XDR -c ../fix_heat_gran_conduction.cpp
make[1]: g: Command not found
make[1]: [fix_heat_gran_conduction.o] Error 127 (ignored)
g -qopenmp -O2 -O3 -ip -xSSE4.2 -axCORE-AVX2,AVX -fp-model fast=2 -no-offload -fno-alias -unroll0 -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_MEMALIGN=64 -DLAMMPS_XDR -c ../compute_ke_atom.cpp
make[1]: g: Command not found
make[1]: [compute_ke_atom.o] Error 127 (ignored)
g -qopenmp -O2 -O3 -ip -xSSE4.2 -axCORE-AVX2,AVX -fp-model fast=2 -no-offload -fno-alias -unroll0 -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_MEMALIGN=64 -DLAMMPS_XDR -c ../min.cpp
make[1]: g: Command not found
make[1]: [min.o] Error 127 (ignored)
....
make[1]: [fix_nve_sphere.o] Error 127 (ignored)
g -qopenmp -O2 -O3 -ip -xSSE4.2 -axCORE-AVX2,AVX -fp-model fast=2 -no-offload -fno-alias -unroll0 -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_MEMALIGN=64 -DLAMMPS_XDR -c ../bond_harmonic.cpp
make[1]: g: Command not found
make[1]: [bond_harmonic.o] Error 127 (ignored)
g -qopenmp -g -qopenmp -O2 -O3 -ip -xSSE4.2 -axCORE-AVX2,AVX -fp-model fast=2 -no-offload -fno-alias -unroll0 fix_heat_gran_conduction.o compute_ke_atom.o min.o fix_print.o math_extra.o memory.o atom.o run_time.o fix_multisphere.o fix_check_timestep_gran.o info.o fix_drag.o mesh_mover_linear.o fix_heat_gran.o compute_rdf.o tet_mesh.o fix_contact_history.o fix_cfd_coupling_convection.o lattice.o modify_liggghts.o fix_ave_spatial.o write_dump.o fix_sph_pressure.o fix_contact_property_atom.o input.o compute_property_local.o fix_nve_superquadric.o fix_nve_asphere_noforce.o neigh_list.o region_plane.o random_mars.o mesh_module_stress.o fix_lineforce.o fix_wall_region.o atom_vec_atomic.o fix_template_superquadric.o create_box.o fix_store_state.o fix_diam_max.o cfd_datacoupling_mpi.o tri_mesh.o fix_respa.o fix_wall.o library.o compute_atom_molecule.o fix_insert.o compute_bond_local.o pair_hybrid.o angle_hybrid.o dump_movie.o fix_insert_pack.o fix_contact_property_atom_wall.o fix_nve_line.o math_extra_liggghts_nonspherical.o compute_pe_atom.o property_registry.o fix_sph_density_continuity.o compute_msd_molecule.o neigh_stencil.o fix_sph_density_corr.o atom_vec_sph_var.o improper_hybrid.o fix_aveforce.o dihedral_hybrid.o region_cone.o neigh_respa.o compute_reduce.o fix_dt_reset.o fix_wall_gran.o fix_gravity.o irregular.o signal_handling.o fix_cfd_coupling.o special.o region_cylinder.o compute_pair_gran_local.o create_atoms.o fix_setforce.o atom_vec_sph.o fix_move_mesh.o properties.o replicate.o read_dump.o minimize.o pair_gran.o group.o fix_read_restart.o compute_com.o timer.o reader.o dump_local_gran.o fix_cfd_coupling_force_implicit.o read_restart.o compute_erotate_asphere.o fix_store.o compute_group_group.o fix_buoyancy.o fix_sph_density_summation.o atom_vec_molecular.o verlet.o reader_native.o universe.o fix_box_relax.o compute_reduce_region.o granular_pair_style.o compute_pe.o granular_wall.o compute_erotate_multisphere.o fix_efield.o compute_contact_atom.o cfd_regionmodel_none.o region_intersect.o fix_property_atom_tracer_stream.o output.o region_wedge.o integrate.o neigh_half_bin.o fix_property_atom_region_tracer.o force.o fix_planeforce.o fix_ave_correlate.o bond.o dump_custom_vtk.o neigh_derive.o dump_mesh_stl.o fix_momentum.o domain.o compute_msd.o mesh_module_stress_servo.o read_data.o compute_rigid.o dihedral.o region.o fix_enforce2d.o lammps.o fix_nve_limit.o respa.o compute_property_atom.o fix_rigid.o compute_cna_atom.o fix_property_atom_tracer.o input_multisphere.o fix_nve_sph.o region_union.o fix_massflow_mesh_sieve.o thermo.o modified_andrew.o particleToInsertSuperquadric.o random_park.o custom_value_tracker.o velocity.o fix_neighlist_mesh.o min_cg.o fix_nve_asphere_base.o procmap.o fix_continuum_weighted.o pair_sph.o cfd_datacoupling_file.o pair_sph_artvisc_tenscorr.o fix_nve.o pair.o error.o compute_erotate_sphere.o compute_erotate_superquadric.o fix_external.o delete_bonds.o dump_local_gran_vtk.o finish.o variable.o pair_line_lj.o run.o dump_custom.o dump_custom_vtm.o image.o fix_ave_histo.o atom_vec_sphere_w.o displace_atoms.o improper.o fix_fiber_spring_simple.o reader_xyz.o mesh_module_liquidtransfer.o fix_nve_sph_stationary.o fix_spring.o fix_spring_self.o atom_vec_line.o dump_decomposition_vtk.o compute_erotate.o atom_vec_bond.o multisphere_parallel.o dump_mesh.o particleToInsert_multisphere.o sort_buffer.o region_mesh_tet.o input_mesh_tri.o neigh_gran.o superquadric.o compute_stress_atom.o compute_gyration.o modify.o tri_mesh_planar.o cfd_datacoupling.o dump_local.o fix_viscous.o dump_image.o compute_erotate_sphere_atom.o fix_template_multiplespheres.o particleToInsert.o atom_vec_sphere.o compute_gyration_molecule.o compute_pressure.o fix_wall_region_sph.o set.o fix_property_atom.o delete_atoms.o compute_contact_atom_gran.o pair_soft.o fix.o atom_vec_charge.o compute_displace_atom.o fix_template_sphere.o multisphere.o dump.o compute_ke_multisphere.o main.o fix_base_liggghts.o fix_particledistribution_discrete.o fix_freeze.o fix_wall_sph.o citeme.o fix_cfd_coupling_force.o fix_cfd_coupling_convection_species.o fix_lb_coupling_onetoone.o fix_mesh.o container_base.o region_sphere.o fix_check_timestep_sph.o neigh_half_nsq.o fix_addforce.o fix_region_variable.o atom_vec_hybrid.o bounding_box.o fix_nve_noforce.o fix_mesh_surface.o atom_vec_tri.o neighbor.o write_data.o fix_scalar_transport_equation.o fix_store_force.o fix_deform_check.o neigh_half_multi.o mesh_module.o fix_insert_stream.o fix_massflow_mesh.o angle.o library_cfd_coupling.o dump_atom_vtk.o compute_coord_atom.o compute_nparticles_tracer_region.o pair_hybrid_overlay.o fix_sph.o rotate.o neigh_request.o fix_multicontact_halfspace.o fix_cfd_coupling_convection_impl.o fix_ave_euler.o fix_ave_time.o fix_nve_asphere.o input_mesh_tet.o fix_property_global.o fix_minimize.o compute.o atom_vec_full.o fix_template_multisphere.o write_restart.o change_box.o region_prism.o kspace.o atom_vec_ellipsoid.o dump_mesh_vtm.o dump_vtk.o compute_inertia_molecule.o global_properties.o atom_map.o compute_property_molecule.o compute_ke.o bond_hybrid.o compute_temp.o comm.o fix_multisphere_comm.o fix_multisphere_break.o fix_insert_rate_region.o fix_adapt.o fix_contact_history_mesh.o atom_vec_superquadric.o fix_deform.o dump_mesh_vtk.o region_neighbor_list.o update.o contact_models.o compute_com_molecule.o random.o compute_cluster_atom.o neigh_full.o dump_xyz.o atom_vec.o region_block.o neigh_dummy.o mesh_mover_rotation.o math_extra_liggghts_superquadric.o fix_spring_rg.o pair_gran_proxy.o min_linesearch.o dump_euler_vtk.o neigh_bond.o compute_centro_atom.o dump_particle.o compute_slice.o fix_ave_atom.o fix_move.o fix_nve_sphere.o bond_harmonic.o -ljpeg -lpng -o ../lmp_rwth
make[1]: g: Command not found
make[1]: [../lmp_rwth] Error 127 (ignored)
size ../lmp_rwth
size: '../lmp_rwth': No such file
make[1]: *** [../lmp_rwth] Error 1
make[1]: Leaving directory `/rwthfs/rz/cluster/home/esch_007/LIGGGHTS/LIGGGHTS-PUBLIC/src/Obj_rwth'
make: *** [rwth] Error 2

What is the meaning of Error1 and Error2, and which commands are not known?

Kind regards
Henrik

paul | Tue, 06/19/2018 - 21:18

Calls to g++ are instead made to "g", which obviously does not work. Are you sure you didn't touch the compiler options?

I'd suggest using cmake instead (although I'm not sure whether it works anymore, don't be upset if it doesn't work):
from the src dir:
mkdir ../src-build
cd ../src-build
ccmake ../src
choose your settings press c then g
make -j NUMBEROFPROCSYOUWANNAUSE
and binaries result.

Lowered | Fri, 07/06/2018 - 23:56

Thank you paul,

cluster admin told me the same, there seems to be something wrong in intelmpi: mpicc links to gcc, or something like this.
I left intelmpi and intel/17, now using ThirdParty with cmake and openmpi. After overcoming some errors (32 vs. 64, vtk, and openmpi vs. memkind) it's finally working

Thank's to all for helping