Sherlock image: bypassing EOF of centos and moving to cuda 12.4.0 (#290)

* Sherlock image: bypassing EOF of centos and moving to cuda 12.4.0

* Added unzip to Dockerfile

* Disable OMP

* Fix review comments

Author: matteofrigo5

.github/workflows/docker_build_tpls.yml

@@ -68,6 +68,20 @@ jobs:
             DOCKER_ROOT_IMAGE: 7g8efcehpff/pangea-almalinux8-gcc9.4-openmpi4.1.2-cuda11.5.0-openblas0.3.18:4
             HOST_ARCH: ppc64le
             RUNS_ON: streak2
+          - name: Sherlock CPU (centos 7.9.2009, gcc 10.1.0, open-mpi 4.1.2, openblas 0.3.10, zlib 1.2.11)
+            DOCKER_REPOSITORY: geosx/sherlock-gcc10.1.0-openmpi4.1.2-openblas0.3.10-zlib1.2.11
+            TPL_DOCKERFILE: docker/Stanford/Dockerfile
+            DOCKER_ROOT_IMAGE: matteofrigo5/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11-no-geosx:0.0.2
+            HOST_CONFIG: docker/Stanford/sherlock-gcc10.cmake
+            INSTALL_DIR_ROOT: /oak/stanford/groups/tchelepi/geos-sherlock/CPU
+            RUNS_ON: ubuntu-latest
+          - name: Sherlock GPU (centos 7.9.2009, gcc 10.1.0, open-mpi 4.1.2, cuda 12.4.0, openblas 0.3.10, zlib 1.2.11)
+            DOCKER_REPOSITORY: geosx/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11
+            TPL_DOCKERFILE: docker/Stanford/Dockerfile
+            DOCKER_ROOT_IMAGE: matteofrigo5/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11-no-geosx:0.0.2
+            HOST_CONFIG: docker/Stanford/sherlock-gcc10-cuda12-sm70.cmake
+            INSTALL_DIR_ROOT: /oak/stanford/groups/tchelepi/geos-sherlock/GPU
+            RUNS_ON: ubuntu-latest
 
     steps:
     - name: Checkout

docker/Stanford/Dockerfile

@@ -15,7 +15,8 @@ RUN yum install -y \
     ca-certificates \
     curl \
     python3 \
-    zlib-devel
+    zlib-devel \
+    unzip
 
 RUN --mount=src=.,dst=$SRC_DIR $SRC_DIR/docker/install-cmake.sh
 

docker/Stanford/Sherlock.Dockerfile

@@ -11,8 +11,8 @@ ARG GCC_VERSION=10.1.0
 ARG OPENMPI_VERSION=4.1.2
 ARG OPENBLAS_VERSION=0.3.10
 ARG ZLIB_VERSION=1.2.11
-ARG CUDA_VERSION=11.7.1
-ARG CUDA_SUBVERSION=515.65.01
+ARG CUDA_VERSION=12.4.0
+ARG CUDA_SUBVERSION=550.54.14
 
 # Main software root installation directory in SHERLOCK
 ARG SHERLOCK_ROOT_INSTALL_DIR=/share/software/user/open
@@ -28,6 +28,12 @@ FROM centos:7.9.2009 AS shared_components
 RUN yum install -y \
         glibc-devel
 
+
+# I need these lines because centos 7.9 has reached EOL
+RUN sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/CentOS-*.repo
+RUN sed -i s/^#.*baseurl=http/baseurl=http/g /etc/yum.repos.d/CentOS-*.repo
+RUN sed -i s/^mirrorlist=http/#mirrorlist=http/g /etc/yum.repos.d/CentOS-*.repo
+
 # We'll compile and deploy a version of `gcc` in this stage.
 FROM shared_components AS gcc_stage
 

…1.2-openblas0.3.10-cuda11.7.1-sm70.cmake …tanford/sherlock-gcc10-cuda12-sm70.cmakedocker/Stanford/sherlock-gcc10-ompi4.1.2-openblas0.3.10-cuda11.7.1-sm70.cmake renamed to docker/Stanford/sherlock-gcc10-cuda12-sm70.cmake docker/Stanford/sherlock-gcc10-ompi4.1.2-openblas0.3.10-cuda11.7.1-sm70.cmake renamed to docker/Stanford/sherlock-gcc10-cuda12-sm70.cmake

@@ -1,17 +1,14 @@
-include(${CMAKE_CURRENT_LIST_DIR}/sherlock-gcc10-ompi4.1.2-openblas0.3.10.cmake)
-
-# OpenMP options
-set(ENABLE_OPENMP OFF CACHE BOOL "" FORCE)
+include(${CMAKE_CURRENT_LIST_DIR}/sherlock-gcc10.cmake)
 
 # CUDA options
 set(ENABLE_CUDA ON CACHE BOOL "" FORCE)
-set(CUDA_VERSION "11.7.1" CACHE PATH "")
+set(CUDA_VERSION "12.4.0" CACHE PATH "")
 set(CUDA_HOME "${SOFTWARE_ROOT}/cuda/${CUDA_VERSION}" CACHE PATH "")
 set(CMAKE_CUDA_ARCHITECTURES "70" CACHE STRING "")
 set(CUDA_ARCH "sm_${CMAKE_CUDA_ARCHITECTURES}" CACHE STRING "")
 set(CUDA_TOOLKIT_ROOT_DIR "${CUDA_HOME}" CACHE STRING "")
 
-set(CONFIG_NAME "sherlock-gcc10-ompi4.1.2-openblas0.3.10-cuda${CUDA_VERSION}-${CUDA_ARCH}" CACHE PATH "" FORCE)
+set(CONFIG_NAME "sherlock-gcc${GCC_VERSION}-ompi${OMPI_VERSION}-openblas${OPENBLAS_VERSION}-cuda${CUDA_VERSION}-${CUDA_ARCH}" CACHE PATH "" FORCE)
 
 set(CMAKE_CUDA_HOST_COMPILER ${MPI_CXX_COMPILER} CACHE STRING "")
 set(CMAKE_CUDA_COMPILER ${CUDA_TOOLKIT_ROOT_DIR}/bin/nvcc CACHE STRING "")
@@ -20,8 +17,11 @@ set(CMAKE_CUDA_FLAGS_RELEASE "-O3 -DNDEBUG -Xcompiler -DNDEBUG -Xcompiler -O3" C
 set(CMAKE_CUDA_FLAGS_RELWITHDEBINFO "-g -lineinfo ${CMAKE_CUDA_FLAGS_RELEASE}" CACHE STRING "")
 set(CMAKE_CUDA_FLAGS_DEBUG "-g -G -O0 -Xcompiler -O0" CACHE STRING "")
 
+# OpenMP options
+set(ENABLE_OPENMP OFF CACHE BOOL "" FORCE)
+
 # LAI options
-set(GEOSX_LA_INTERFACE "Hypre" CACHE STRING "" FORCE)
+set(GEOS_LA_INTERFACE "Hypre" CACHE STRING "" FORCE)
 set(ENABLE_HYPRE ON CACHE BOOL "" FORCE)
 set(ENABLE_HYPRE_DEVICE "CUDA" CACHE STRING "" FORCE)
 set(ENABLE_PETSC OFF CACHE BOOL "" FORCE)

…ock-gcc10-ompi4.1.2-openblas0.3.10.cmake docker/Stanford/sherlock-gcc10.cmakedocker/Stanford/sherlock-gcc10-ompi4.1.2-openblas0.3.10.cmake renamed to docker/Stanford/sherlock-gcc10.cmake docker/Stanford/sherlock-gcc10-ompi4.1.2-openblas0.3.10.cmake renamed to docker/Stanford/sherlock-gcc10.cmake

@@ -1,8 +1,13 @@
-set(CONFIG_NAME "sherlock-gcc10-ompi4.1.2-openblas0.3.10" CACHE PATH "")
+# User defined versions
+set(GCC_VERSION "10.1.0" CACHE STRING "Version of GCC")
+set(OMPI_VERSION "4.1.2" CACHE STRING "Version of Open MPI")
+set(OPENBLAS_VERSION "0.3.10" CACHE STRING "Version of OpenBLAS")
+
+set(CONFIG_NAME "sherlock-gcc${GCC_VERSION}-ompi${OMPI_VERSION}-openblas${OPENBLAS_VERSION}" CACHE PATH "")
 
 set(SOFTWARE_ROOT /share/software/user/open CACHE PATH "")
-set(GCC_ROOT "${SOFTWARE_ROOT}/gcc/10.1.0" CACHE PATH "")
-set(MPI_ROOT "${SOFTWARE_ROOT}/openmpi/4.1.2" CACHE PATH "")
+set(GCC_ROOT "${SOFTWARE_ROOT}/gcc/${GCC_VERSION}" CACHE PATH "")
+set(MPI_ROOT "${SOFTWARE_ROOT}/openmpi/${OMPI_VERSION}" CACHE PATH "")
 
 site_name(HOST_NAME)
 
@@ -12,7 +17,7 @@ set(CMAKE_CXX_COMPILER     "${GCC_ROOT}/bin/g++"      CACHE PATH "")
 set(CMAKE_Fortran_COMPILER "${GCC_ROOT}/bin/gfortran" CACHE PATH "")
 
 # OpenMP options
-set(ENABLE_OPENMP ON CACHE BOOL "")
+#set(ENABLE_OPENMP ON CACHE BOOL "")
 
 # MPI options
 set(ENABLE_MPI ON CACHE PATH "" FORCE)
@@ -27,15 +32,9 @@ set(ENABLE_WRAP_ALL_TESTS_WITH_MPIEXEC ON CACHE BOOL "")
 set(ENABLE_CUDA OFF CACHE PATH "" FORCE)
 
 # Blas/Lapack options
-set(OPENBLAS_ROOT "${SOFTWARE_ROOT}/openblas/0.3.10" CACHE STRING "")
+set(OPENBLAS_ROOT "${SOFTWARE_ROOT}/openblas/${OPENBLAS_VERSION}" CACHE STRING "")
 set(BLAS_LIBRARIES "${OPENBLAS_ROOT}/lib/libopenblas.so" CACHE STRING "")
 set(LAPACK_LIBRARIES "${OPENBLAS_ROOT}/lib/libopenblas.so" CACHE STRING "")
 
-# Python options
-#set(ENABLE_PYLVARRAY ON CACHE BOOL "")
-#set(ENABLE_PYGEOSX ON CACHE BOOL "")
-#set(PYTHON_DIR "${SOFTWARE_ROOT}/python/3.6.1" CACHE PATH "")
-#set(Python3_EXECUTABLE "${SOFTWARE_ROOT}/python/3.6.1/bin/python3" CACHE PATH "")
-
 set(ENABLE_VALGRIND OFF CACHE BOOL "")
 set(ENABLE_CALIPER ON CACHE BOOL "")