👌 IMPROVE: add siesta_build_cpus (#14)

marvel-nccr · Dec 6, 2020 · de431b1 · de431b1
1 parent 1c2e130
commit de431b1
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Showing 7 changed files with 8 additions and 6 deletions.
diff --git a/defaults/main.yml b/defaults/main.yml
@@ -7,6 +7,7 @@ siesta_enable_ncdf: "1"
 siesta_enable_flook: "1"
 
 #
+siesta_build_cpus: 2
 run_tests: true
 #--------------------------
 #

diff --git a/molecule/default/molecule.yml b/molecule/default/molecule.yml
@@ -32,3 +32,5 @@ provisioner:
         vars:
           ansible_python_interpreter: /usr/bin/python3
           run_tests: true
+          libxc_build_cpus: 2
+          siesta_build_cpus: 2
diff --git a/tasks/gridxc-multi.yml b/tasks/gridxc-multi.yml
@@ -47,7 +47,7 @@
     creates: "{{ siesta_libgridxc_topdir }}/build_dp/Makefile"
 
 - name: Make libgridxc dp
-  shell: "make"
+  shell: "make -j{{ siesta_build_cpus }}"
   args:
     chdir: "{{ siesta_libgridxc_topdir }}/build_dp"
     creates: "{{ siesta_libgridxc_topdir }}/build_dp/src/libgridxc_dp.la"
@@ -70,7 +70,7 @@
     creates: "{{ siesta_libgridxc_topdir }}/build_mpi_dp/Makefile"
 
 - name: Make libgridxc mpi_dp
-  shell: "make"
+  shell: "make -j{{ siesta_build_cpus }}"
   args:
     chdir: "{{ siesta_libgridxc_topdir }}/build_mpi_dp"
     creates: "{{ siesta_libgridxc_topdir }}/build_mpi_dp/src/libgridxc_dp_mpi.la"

diff --git a/tasks/libpsml.yml b/tasks/libpsml.yml
@@ -27,7 +27,7 @@
 
 
 - name: Make libpsml
-  command: make
+  command: make -j{{ siesta_build_cpus }}
   args:
     chdir: "{{ siesta_libpsml_topdir }}"
     creates: "{{ siesta_libpsml_topdir }}/src/libpsml.la"

diff --git a/tasks/libxc.yml b/tasks/libxc.yml
@@ -32,7 +32,6 @@
       name: marvel-nccr.libxc
     vars:
       libxc_version: "{{ siesta_libxc_version }}"
-      libxc_build_cpus: 1
     when: not libxc_installation.stat.exists
 
   # Here we disable shared libraries because the current libxc role does not build them,

diff --git a/tasks/siesta.yml b/tasks/siesta.yml
@@ -27,7 +27,7 @@
     dest: "{{ siesta_topdir }}/Obj/arch.make"
 
 - name: Make siesta executable
-  command: make
+  command: make -j{{ siesta_build_cpus }}
   args:
     chdir: "{{ siesta_topdir }}/Obj"
     creates: "{{ siesta_topdir }}/Obj/siesta"

diff --git a/tasks/tests.yml b/tasks/tests.yml
@@ -20,7 +20,7 @@
   when: siesta_enable_flook | bool
 
 - name: run siesta tests
-  shell: make clean; make MPI='mpirun --oversubscribe -np 2' check
+  shell: make clean; make MPI='mpirun --oversubscribe -np {{ siesta_build_cpus }}' check
   args:
     chdir: "{{ siesta_topdir }}/Obj/Tests/{{ item }}"
   with_items: "{{ siesta_all_tests }}"