From 8aec146cf6afcf09872d3e6aa520b35296dd18fb Mon Sep 17 00:00:00 2001
From: Nicolas Richart <nicolas.richart@epfl.ch>
Date: Wed, 31 Jul 2024 12:56:32 +0200
Subject: [PATCH] Reducing the numbers of kokkos and selecting the prefered
version of lammps
---
stacks/pinot-noir/packages_kuma-h100.yaml | 2 +-
stacks/pinot-noir/packages_kuma-l40s.yaml | 2 +-
stacks/pinot-noir/packages_stack.yaml | 30 ++++++++++++++++-------
3 files changed, 23 insertions(+), 11 deletions(-)
diff --git a/stacks/pinot-noir/packages_kuma-h100.yaml b/stacks/pinot-noir/packages_kuma-h100.yaml
index b02e641..d0fa7ff 100644
--- a/stacks/pinot-noir/packages_kuma-h100.yaml
+++ b/stacks/pinot-noir/packages_kuma-h100.yaml
@@ -28,7 +28,7 @@ packages:
kokkos:
require:
- - spec: '+cuda cuda_arch=90 +cuda_uvm +wrapper ~openmptarget'
+ - spec: '+cuda +cuda_lambda cuda_arch=90 +cuda_uvm +wrapper ~openmptarget'
when: '%gcc'
nvshmem:
diff --git a/stacks/pinot-noir/packages_kuma-l40s.yaml b/stacks/pinot-noir/packages_kuma-l40s.yaml
index 5979953..30371ea 100644
--- a/stacks/pinot-noir/packages_kuma-l40s.yaml
+++ b/stacks/pinot-noir/packages_kuma-l40s.yaml
@@ -28,7 +28,7 @@ packages:
kokkos:
require:
- - spec: '+cuda cuda_arch=89 +cuda_uvm +wrapper ~openmptarget'
+ - spec: '+cuda +cuda_lambda cuda_arch=89 +cuda_uvm +wrapper ~openmptarget'
when: '%gcc'
nvshmem:
diff --git a/stacks/pinot-noir/packages_stack.yaml b/stacks/pinot-noir/packages_stack.yaml
index 432ab26..4a5c6bd 100644
--- a/stacks/pinot-noir/packages_stack.yaml
+++ b/stacks/pinot-noir/packages_stack.yaml
@@ -80,19 +80,24 @@ packages:
require: ['@1.10.2']
kokkos:
- prefer: ['+openmp', '+numactl', '+memkind', '~threads',
- '+aggressive_vectorization']
+ require: ['+openmp', '+numactl', '+memkind', '~threads',
+ '+aggressive_vectorization', '@4.3.01']
kokkos-kernel:
- prefer: ['+openmp', '~threads']
+ prefer: ['+openmp', '~threads', '~ipo', '@4.3.01']
+
+ kokkos-nvcc-wrapper:
+ prefer: ['@4.3.01']
lammps:
- require: ['build_type=Release', '+asphere', '+atc', '+body', '+class2',
- '+colloid', '+compress', '+coreshell', '+dipole', '+diffraction', '+extra-dump',
- '+granular', '+h5md', '+kspace', '+latboltz', '+latte', '+lib', '+manybody',
- '+mc', '+misc', '+molecule', '+mpi', '+mpiio', '+netcdf', '+peri', '~poems',
- '+python', '+qeq', '+replica ', '+rigid', '+shock', '+ml-snap', '+srd',
- '+voronoi', '+plumed', '+kokkos']
+ require: ['@20230802.3',
+ 'build_type=Release', '+asphere', '+atc', '+body', '+class2',
+ '+colloid', '+compress', '+coreshell', '+dipole', '+diffraction',
+ '+extra-dump', '+granular', '+h5md', '+kspace', '+latboltz',
+ '+lib', '+manybody', '+mc', '+misc', '+molecule',
+ '+mpi', '+netcdf', '+peri', '~poems', '+python', '+qeq',
+ '+replica ', '+rigid', '+shock', '+ml-snap', '+srd', '+voronoi',
+ '+plumed', '+kokkos']
libfabric:
require:
@@ -130,6 +135,10 @@ packages:
m4:
require: ['+sigsegv']
+ magma:
+ # https://groups.google.com/a/icl.utk.edu/g/magma-user/c/l2XWTKmuBH0
+ require: ['~ipo']
+
mbedtls:
prefer: ['@3.3.0']
@@ -233,6 +242,9 @@ packages:
require:
- spec: '~python ++mpi +xdmf +ffmpeg'
+ xmlto:
+ require: ['@0.0.29']
+
# ----------------------------------------------------------------------------
# System dependencies
# ----------------------------------------------------------------------------
--
GitLab