{toolchain}[system/system] nvofbf v2024.9, nvompi v2024.9

[sassy-crick]

(created using eb --new-pr)

Requires:

• PR {numlib}[NVHPC/24.9-CUDA-12.6.0,nvompi/2024.9] FFTW v3.3.10 #21634
• PR {numlib}[NVHPC/24.9-CUDA-12.6.0] FlexiBLAS v3.4.4, OpenBLAS v0.3.27 w/ fb #21635
• PR {lib,mpi}[GCCcore/13.3.0,NVHPC/24.9] NCCL v2.22.3, UCC-CUDA v1.3.0, OpenMPI v5.0.3 w/ CUDA 12.6.0 #21546

[Thyre]

Partial duplicate of #21546?
OpenMPI seems to exist in both PRs.

[sassy-crick]

Partial duplicate of #21546? OpenMPI seems to exist in both PRs.

Yep. I think we both were working on that at more or less at the same time. I remove the OpenMPI part, unless you tell me the other two ECs are also somewhere open as PRs.

[Thyre]

Yep. I think we both were working on that at more or less at the same time. I remove the OpenMPI part, unless you tell me the other two ECs are also somewhere open as PRs.

As far as I know, the other ECs do not exist in another PR 😄

[SebastianAchilles]

You have a circular dependency between this PR and #21635
nvompi is needed for ScaLAPACK and ScaLAPACK is needed for nvofbf.

I would suggest to move nvofbf v2024.9 into a separate PR.

[github-actions]

Updated software FFTW.MPI-3.3.10-nvompi-2024.9.eb

Diff against FFTW.MPI-3.3.10-iimpi-2023a.eb

easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-iimpi-2023a.eb

diff --git a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-iimpi-2023a.eb b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-nvompi-2024.9.eb
index edd9aa0119..e133fd6e17 100644
--- a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-iimpi-2023a.eb
+++ b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-nvompi-2024.9.eb
@@ -5,7 +5,7 @@ homepage = 'https://www.fftw.org'
 description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
 in one or more dimensions, of arbitrary input size, and of both real and complex data."""
 
-toolchain = {'name': 'iimpi', 'version': '2023a'}
+toolchain = {'name': 'nvompi', 'version': '2024.9'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]

Diff against FFTW.MPI-3.3.10-gompi-2024a.eb

easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2024a.eb

diff --git a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2024a.eb b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-nvompi-2024.9.eb
index 2ed420c412..e133fd6e17 100644
--- a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2024a.eb
+++ b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-nvompi-2024.9.eb
@@ -5,7 +5,7 @@ homepage = 'https://www.fftw.org'
 description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
 in one or more dimensions, of arbitrary input size, and of both real and complex data."""
 
-toolchain = {'name': 'gompi', 'version': '2024a'}
+toolchain = {'name': 'nvompi', 'version': '2024.9'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]

Diff against FFTW.MPI-3.3.10-gmpich-2024.06.eb

easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gmpich-2024.06.eb

diff --git a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gmpich-2024.06.eb b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-nvompi-2024.9.eb
index 4b79e9e7c2..e133fd6e17 100644
--- a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gmpich-2024.06.eb
+++ b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-nvompi-2024.9.eb
@@ -5,7 +5,7 @@ homepage = 'https://www.fftw.org'
 description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
 in one or more dimensions, of arbitrary input size, and of both real and complex data."""
 
-toolchain = {'name': 'gmpich', 'version': '2024.06'}
+toolchain = {'name': 'nvompi', 'version': '2024.9'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]

Updated software nvofbf-2024.9.eb

Diff against nvofbf-2022.07.eb

easybuild/easyconfigs/n/nvofbf/nvofbf-2022.07.eb

diff --git a/easybuild/easyconfigs/n/nvofbf/nvofbf-2022.07.eb b/easybuild/easyconfigs/n/nvofbf/nvofbf-2024.9.eb
index 172f0f07ea..ed83f98ba8 100644
--- a/easybuild/easyconfigs/n/nvofbf/nvofbf-2022.07.eb
+++ b/easybuild/easyconfigs/n/nvofbf/nvofbf-2024.9.eb
@@ -1,7 +1,7 @@
 easyblock = 'Toolchain'
 
 name = 'nvofbf'
-version = '2022.07'
+version = '2024.9'
 
 homepage = '(none)'
 description = """NVHPC based toolchain, including OpenMPI for MPI support,
@@ -9,14 +9,14 @@ OpenBLAS (via FlexiBLAS for BLAS and LAPACK support), FFTW and ScaLAPACK."""
 
 toolchain = SYSTEM
 
-local_compiler = ('NVHPC', '22.7-CUDA-11.7.0')
+local_compiler = ('NVHPC', '24.9-CUDA-12.6.0')
 
 local_comp_mpi_tc = ('nvompi', version)
 
 dependencies = [
     local_compiler,
-    ('OpenMPI', '4.1.4', '', local_compiler),
-    ('FlexiBLAS', '3.2.0', '', local_compiler),
+    ('OpenMPI', '5.0.3', '', local_compiler),
+    ('FlexiBLAS', '3.4.4', '', local_compiler),
     ('FFTW', '3.3.10', '', local_compiler),
     ('FFTW.MPI', '3.3.10', '', local_comp_mpi_tc),
     ('ScaLAPACK', '2.2.0', '-fb', local_comp_mpi_tc),

Updated software nvompi-2024.9.eb

Diff against nvompi-2022.07.eb

easybuild/easyconfigs/n/nvompi/nvompi-2022.07.eb

diff --git a/easybuild/easyconfigs/n/nvompi/nvompi-2022.07.eb b/easybuild/easyconfigs/n/nvompi/nvompi-2024.9.eb
index 1a1647cbfa..15be91b09d 100644
--- a/easybuild/easyconfigs/n/nvompi/nvompi-2022.07.eb
+++ b/easybuild/easyconfigs/n/nvompi/nvompi-2024.9.eb
@@ -1,19 +1,19 @@
 easyblock = 'Toolchain'
 
 name = 'nvompi'
-version = '2022.07'
+version = '2024.9'
 
 homepage = '(none)'
 description = 'NVHPC based compiler toolchain, including OpenMPI for MPI support.'
 
 toolchain = SYSTEM
 
-local_compiler = ('NVHPC', '22.7-CUDA-11.7.0')
+local_compiler = ('NVHPC', '24.9-CUDA-12.6.0')
 
 dependencies = [
     local_compiler,
-    ('OpenMPI', '4.1.4', '', local_compiler),
-    ('CUDA', '11.7.0', '', SYSTEM),
+    ('OpenMPI', '5.0.3', '', local_compiler),
+    ('CUDA', '12.6.0', '', SYSTEM),
 ]
 
 moduleclass = 'toolchain'

Updated software ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb

Diff against ScaLAPACK-2.2.0-gompi-2024a-fb.eb

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024a-fb.eb

diff --git a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024a-fb.eb b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb
index 1bccc16f38..302d2e1ac7 100644
--- a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024a-fb.eb
+++ b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb
@@ -6,7 +6,7 @@ homepage = 'https://www.netlib.org/scalapack/'
 description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
  redesigned for distributed memory MIMD parallel computers."""
 
-toolchain = {'name': 'gompi', 'version': '2024a'}
+toolchain = {'name': 'nvompi', 'version': '2024.9'}
 toolchainopts = {'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True}
 
 source_urls = [homepage]

Diff against ScaLAPACK-2.2.0-gmpich-2024.06-fb.eb

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gmpich-2024.06-fb.eb

diff --git a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gmpich-2024.06-fb.eb b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb
index 28d4f766d5..302d2e1ac7 100644
--- a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gmpich-2024.06-fb.eb
+++ b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb
@@ -6,7 +6,7 @@ homepage = 'https://www.netlib.org/scalapack/'
 description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
  redesigned for distributed memory MIMD parallel computers."""
 
-toolchain = {'name': 'gmpich', 'version': '2024.06'}
+toolchain = {'name': 'nvompi', 'version': '2024.9'}
 toolchainopts = {'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True}
 
 source_urls = [homepage]
@@ -18,11 +18,11 @@ checksums = [
 ]
 
 builddependencies = [
-    ('CMake', '3.26.3'),
+    ('CMake', '3.29.3'),
 ]
 
 dependencies = [
-    ('FlexiBLAS', '3.3.1'),
+    ('FlexiBLAS', '3.4.4'),
 ]
 
 # Config Opts based on AOCL User Guide:

Diff against ScaLAPACK-2.2.0-gompi-2024.05-fb.eb

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024.05-fb.eb

diff --git a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024.05-fb.eb b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb
index 4bdfa045fe..302d2e1ac7 100644
--- a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024.05-fb.eb
+++ b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb
@@ -6,7 +6,7 @@ homepage = 'https://www.netlib.org/scalapack/'
 description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
  redesigned for distributed memory MIMD parallel computers."""
 
-toolchain = {'name': 'gompi', 'version': '2024.05'}
+toolchain = {'name': 'nvompi', 'version': '2024.9'}
 toolchainopts = {'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True}
 
 source_urls = [homepage]

[sassy-crick]

I have moved both FFTW.MPI-3.3.10-nvompi-2024.9.eb and ScaLAPACK-2.2.0-nvompi-2024.9-fb.eb to this PR to break the circular dependency I accidentally introduced.
That builds well now as seen here for the whole thing, including dependencies.
Thanks for pointing that out to me.

[Thyre]

With the new NVHPC toolchain being introduced in EasyBuild v5.2.0, I'm not sure if we should promote the old NVHPC toolchains anymore, even if this is targeting an old toolchain generation...

[sassy-crick]

With the new NVHPC toolchain being introduced in EasyBuild v5.2.0, I'm not sure if we should promote the old NVHPC toolchains anymore, even if this is targeting an old toolchain generation...

Agreed. That PR stems from a time before we had converged on how to set up NVHPC, so I will close this one, and the other old ones I had open.