Updating to ROCm 6.3, Minor updates to Neko, OpenFOAM, and PyFR recip…

…es (#103)

README.md

@@ -19,7 +19,7 @@ For ROCm installation procedures and validation checks, see:
 ## Applications:
 |Application|Builds|ROCm Version|Domains|
 |---|---|---|---|
-|[AMD ROCm with GPU-Aware MPI Container](/base-gpu-mpi-rocm-docker/)|<ul><li>[Docker](/base-gpu-mpi-rocm-docker/)</li></ul>|6.2.4|<ul><li>Tools</li><li>Libraries</li></ui>|
+|[AMD ROCm with GPU-Aware MPI Container](/base-gpu-mpi-rocm-docker/)|<ul><li>[Docker](/base-gpu-mpi-rocm-docker/)</li></ul>|6.3|<ul><li>Tools</li><li>Libraries</li></ui>|
 |[AMD ROCm with Conda Environment Container](/conda-rocm-environment/)|<ul><li>[Docker](/conda-rocm-environment/)</li></ul>|latest|<ul><li>Tools</li><li>Libraries</li></ui>|
 |[AMD's implementation of Gromacs with HIP](/gromacs/)|<ul><li>[Baremetal](/gromacs/baremetal/)</li><li>[Docker](/gromacs/docker/)</li></ul>|latest|<ul><li>Molecular Dynamics</li></ul>|
 |[Ansys Fluent](/ansys-fluent/)|<ul><li>[Baremetal](/ansys-fluent/baremetal/)</li><li>[Docker](/ansys-fluent/docker/)</li></ul>|latest|<ul><li>Computational Fluid Dynamics</li></ul>|

ansys-fluent/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE=rocm_gpu:6.2.4
+ARG IMAGE=rocm_gpu:6.3
 
 FROM ${IMAGE}
 

ansys-fluent/docker/README.md

@@ -38,7 +38,7 @@ At build time, the `ANSYSLMD_LICENSE_FILE` `build-arg` can be provided or update
 ## Inputs
 Possible `build-arg` for the Docker build command  
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).  
 - ### FLUENT_TAR

base-gpu-mpi-rocm-docker/Dockerfile

@@ -2,7 +2,7 @@ ARG UBUNTU_VERSION="noble"
 
 FROM ubuntu:${UBUNTU_VERSION}
 
-ARG ROCM_URL="https://repo.radeon.com/amdgpu-install/6.2.4/ubuntu/noble/amdgpu-install_6.2.60204-1_all.deb"
+ARG ROCM_URL="https://repo.radeon.com/amdgpu-install/6.3/ubuntu/noble/amdgpu-install_6.3.60300-1_all.deb"
 ARG UCX_BRANCH="v1.17.0"
 ARG UCC_BRANCH="v1.3.0"
 ARG OMPI_BRANCH="v5.0.5"

base-gpu-mpi-rocm-docker/README.md

@@ -44,7 +44,7 @@ Please consult the [Docker documentation](https://docs.docker.com/engine/referen
 Possible `build-arg` for the Docker build command  
 
 - ### ROCM_URL
-    Default: `https://repo.radeon.com/amdgpu-install/6.1.1/ubuntu/jammy/amdgpu-install_6.1.60101-1_all.deb`
+    Default: `https://repo.radeon.com/amdgpu-install/6.3/ubuntu/noble/amdgpu-install_6.3.60300-1_all.deb`
     - [AMDGPU-installer Directory](https://repo.radeon.com/amdgpu-install/)
     > ** Note ** 
     > The UBUNTU_VERSION below must match the same version of Ubuntu chosen for the amdgpu installer deb.
@@ -87,10 +87,10 @@ Download the [Dockerfile](/base-gpu-mpi-rocm-docker/Dockerfile)
 
 To run the default configuration:
 ```
-docker build -t rocm_gpu:6.2.4 -f /path/to/Dockerfile . 
+docker build -t rocm_gpu:6.3 -f /path/to/Dockerfile . 
 ```
 > Notes:  
->- `rocm_gpu:6.2.4` is an example container name.
+>- `rocm_gpu:6.3` is an example container name.
 >- the `.` at the end of the build line is important. It tells Docker where your build context is located.
 >- `-f /path/to/Dockerfile` is only required if your docker file is in a different directory than your build context. If you are building in the same directory it is not required. 
 
@@ -99,7 +99,7 @@ To run a custom configuration, include one or more customized build-arg paramete
 
 ```
 docker build \
-    -t rocm_gpu:6.2.4 \
+    -t rocm_gpu:6.3 \
     -f /path/to/Dockerfile \
     --build-arg UBUNTU_VERSION=jammy \
     --build-arg UCX_BRANCH=master \
@@ -118,7 +118,7 @@ To run the container interactively, run the following command:
 docker run --device=/dev/kfd \
            --device=/dev/dri \
            --security-opt seccomp=unconfined \
-           -it rocm_gpu:6.2.4 bash
+           -it rocm_gpu:6.3 bash
 ```
 > ** Notes **
 > User running container user must have permissions to `/dev/kfd` and `/dev/dri`. This can be achieved by being a member of `video` and/or `render` group.  
@@ -130,7 +130,7 @@ docker run --device=/dev/kfd \
 Singularity, like Docker, can be used for running HPC containers.  
 To create a Singularity container from your local Docker container, run the following command:
 ```
-singularity build rocm_gpu.sif  docker-daemon://rocm_gpu:6.2.4
+singularity build rocm_gpu.sif  docker-daemon://rocm_gpu:6.3
 ```
 
 Singularity can be used similar to Docker to launch interactive and non-interactive containers, as shown in the following example of launching a interactive run

cholla/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

cholla/docker/README.md

@@ -10,7 +10,7 @@ This document provides instructions on how to build Cholla into a Docker contain
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

chroma/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

chroma/docker/README.md

@@ -10,7 +10,7 @@ This document provides instructions on how to build Chroma into a Docker contain
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).  
 

conda-rocm-environment/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

conda-rocm-environment/README.md

@@ -25,7 +25,7 @@ There are a few ways to get additional applications into the container.
 Possible `build-arg` for the Docker build command
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 
@@ -34,10 +34,10 @@ Download the [Dockerfile](/conda-rocm-environment/Dockerfile)
 
 To run the default configuration:
 ```
-docker build -t conda_rocm_gpu:6.2.4 -f /path/to/Dockerfile . 
+docker build -t conda_rocm_gpu:6.3 -f /path/to/Dockerfile . 
 ```
 > Notes:  
->- `conda_rocm_gpu:6.2.4` is an example container name.
+>- `conda_rocm_gpu:6.3` is an example container name.
 >- the `.` at the end of the build line is important. It tells Docker where your build context is located.
 >- `-f /path/to/Dockerfile` is only required if your docker file is in a different directory than your build context. If you are building in the same directory it is not required.
 >
@@ -46,7 +46,7 @@ docker build -t conda_rocm_gpu:6.2.4 -f /path/to/Dockerfile .
 
 ```
 docker build \
-    -t conda_rocm_gpu:6.2.4 \
+    -t conda_rocm_gpu:6.3 \
     -f /path/to/Dockerfile \
     --build-arg IMAGE=<custom_image>
     .
@@ -62,7 +62,7 @@ To run the container interactively, run the following command:
 docker run --device=/dev/kfd \
            --device=/dev/dri \
            --security-opt seccomp=unconfined \
-           -it conda_rocm_gpu:6.2.4 bash
+           -it conda_rocm_gpu:6.3 bash
 ```
 > ** Notes **
 > User running container user must have permissions to `/dev/kfd` and `/dev/dri`. This can be achieved by being a member of `video` and/or `render` group.  
@@ -74,7 +74,7 @@ docker run --device=/dev/kfd \
 Singularity, like Docker, can be used for running HPC containers.  
 To create a Singularity container from your local Docker container, run the following command:
 ```
-singularity build conda_rocm_gpu.sif  docker-daemon://conda_rocm_gpu:6.2.4
+singularity build conda_rocm_gpu.sif  docker-daemon://conda_rocm_gpu:6.3
 ```
 
 Singularity can be used similar to Docker to launch interactive and non-interactive containers, as shown in the following example of launching a interactive run

cp2k/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

cp2k/docker/README.md

@@ -10,7 +10,7 @@ This document provides instructions on how to build CP2K into a Docker container
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

grid/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

grid/docker/README.md

@@ -6,7 +6,7 @@ This document provides instructions on how to build GRID into a Docker container
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

gromacs/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

gromacs/docker/README.md

@@ -10,7 +10,7 @@ Instructions on how to build a Docker Container with AMD's implementation of Gro
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

hpcg/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

hpcg/docker/README.md

@@ -10,7 +10,7 @@ This document provides instructions on how to build rocHPCG into a Docker contai
 Possible arguments for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

hpl-mxp/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

hpl-mxp/docker/README.md

@@ -10,7 +10,7 @@ If you are not familiar with creating Docker builds, please see the available [D
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 
@@ -38,7 +38,7 @@ To run a custom configuration, include one or more customized build-arg
 docker build \
     -t mycontainer/rochpl-mxp \
     -f /path/to/Dockerfile \
-    --build-arg IMAGE=rocm_gpu:6.2.4 \
+    --build-arg IMAGE=rocm_gpu:6.3 \
     --build-arg HPL_BRANCH=apu \
     . 
 ```

kokkos/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE=rocm_gpu:6.2.4
+ARG IMAGE=rocm_gpu:6.3
 
 FROM ${IMAGE}
 

kokkos/docker/README.md

@@ -11,7 +11,7 @@ This Kokkos Container is a platform for building HPC applications using Kokkos a
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

lammps/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

lammps/docker/README.md

@@ -10,7 +10,7 @@ This document provides instructions on how to build LAMMPS into a Docker contain
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

milc/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 

milc/docker/README.md

@@ -10,7 +10,7 @@ This document provides instructions on how to build MILC into a Docker container
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 
@@ -48,7 +48,7 @@ To run a custom configuration, include one or more customized build-arg
 docker build \
     -t mycontainer/milc \
     -f /path/to/Dockerfile \
-    --build-arg IMAGE=rocm_gpu:6.2.4 \
+    --build-arg IMAGE=rocm_gpu:6.3 \
     --build-arg QMP_BRANCH=master
     --build-arg QIO_BRANCH=master
     --build-arg QUDA_BRANCH=master

neko/docker/Dockerfile

@@ -1,9 +1,9 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 
 ARG JSON_FORTRAN_BRANCH="master"
-ARG NEKO_BRANCH="v0.7.2"
+ARG NEKO_BRANCH="v0.9.0"
 
 # Update and Install basic Linux development tools
 RUN apt-get update \

neko/docker/README.md

@@ -9,12 +9,12 @@ This document provides instructions on how to build NEKO into a Docker container
 Possible arguments for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 
 - ### NEKO_BRANCH
-    Default: `v0.7.2`  
+    Default: `v0.9.0`  
     Branch/Tag found: [NEKO repo](https://github.com/ExtremeFLOW/neko)
 
 - ### JSON_FORTRAN_BRANCH

nekrs/docker/Dockerfile

@@ -1,4 +1,4 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 FROM ${IMAGE}
 
 ARG NEKRS_BRANCH="v23.0"

nekrs/docker/README.md

@@ -10,7 +10,7 @@ This document provides instructions on how to build nekRS into a Docker containe
 Possible arguments for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/Dockerfile).
 

openfoam/docker/Dockerfile

@@ -1,10 +1,10 @@
-ARG IMAGE="rocm_gpu:6.2.4"
+ARG IMAGE="rocm_gpu:6.3"
 
 FROM ${IMAGE}
 ARG OPENFOAM_VERSION="v2406"
-ARG SCOTCH_VER="v7.0.4"
-ARG PETSC_VER="v3.22.1"
-ARG USE_HYPRE=TRUE
+ARG SCOTCH_VER="v7.0.6"
+ARG PETSC_VER="v3.22.2"
+ARG USE_HYPRE=FALSE
 
 RUN apt-get update \
     && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \

openfoam/docker/README.md

@@ -9,7 +9,7 @@ Instructions on how to build a Docker Container with OpenFOAM using the PETSc so
 Possible `build-arg` for the Docker build command  
 
 - ### IMAGE
-    Default: `rocm_gpu:6.2.4`  
+    Default: `rocm_gpu:6.3`  
     > ***Note:***  
     >  This container needs to be build using [Base ROCm GPU](/base-gpu-mpi-rocm-docker/).
     
@@ -18,11 +18,11 @@ Possible `build-arg` for the Docker build command
     Branch/Tag found: [OpenFOAM repo](https://develop.openfoam.com/Development/openfoam)
 
 - ### SCOTCH_VER
-    Default: `v7.0.3`  
+    Default: `v7.0.6`  
     Branch/Tag found: [Scotch repo](https://gitlab.inria.fr/scotch/scotch.git)
 
 - ### PETSC_VER
-    Default: `v3.22.1`  
+    Default: `v3.22.2`  
     Branch/Tag found: [PETSc repo](https://gitlab.com/petsc/petsc)  
     >NOTE:  
     >Initial HIP support was added in v3.18.0 with further optimizations included in minor releases. We recommend using v3.19 or newer for performance runs on AMD hardware