deps: add hpc oneapi image

devito/arch/compiler.py

@@ -730,7 +730,7 @@ def __init__(self, *args, **kwargs):
             self.cflags.append("-qopt-zmm-usage=high")
 
         if language == 'openmp':
-            self.cflags.append('-fiopenmp')
+            self.ldflags.append('-qopenmp')
 
         # Make sure the MPI compiler uses `icc` underneath -- whatever the MPI distro is
         if kwargs.get('mpi'):
@@ -792,8 +792,8 @@ def __init__(self, *args, **kwargs):
 
         # Earlier versions to OneAPI 2023.2.0 (clang17 underneath), have an OpenMP bug
         if self.version < Version('17.0.0') and language == 'openmp':
-            self.cflags.remove('-fiopenmp')
-            self.cflags.append('-fopenmp')
+            self.ldflags.remove('-qopenmp')
+            self.ldflags.append('-fopenmp')
 
         if language == 'sycl':
             self.cflags.append('-fsycl')
@@ -805,10 +805,10 @@ def __init__(self, *args, **kwargs):
             if platform is NVIDIAX:
                 self.cflags.append('-fopenmp-targets=nvptx64-cuda')
         if platform in [INTELGPUX, PVC]:
-            self.cflags.append('-fopenmp-targets=spir64')
-            self.cflags.append('-fopenmp-target-simd')
+            self.ldflags.append('-fiopenmp')
+            self.ldflags.append('-fopenmp-targets=spir64')
+            self.ldflags.append('-fopenmp-target-simd')
 
-        if platform is INTELGPUX:
             self.cflags.remove('-g')  # -g disables some optimizations in IGC
             self.cflags.append('-gline-tables-only')
             self.cflags.append('-fdebug-info-for-profiling')

docker/Dockerfile.amd

@@ -125,7 +125,7 @@ ENV OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
 RUN apt-get update && \
     apt-get install -y dh-autoreconf python3-venv python3-dev python3-pip
 
-RUN apt-get clean && apt-get autoclean && apt-get autoremove && \
+RUN apt-get clean && apt-get autoclean && apt-get autoremove -y && \
     rm -rf /var/lib/apt/lists/*
 
 EXPOSE 8888

docker/Dockerfile.cpu

@@ -3,18 +3,20 @@
 # This Dockerfile contains the Devito codes and can be built using different base images.
 ##############################################################
 
-ARG pyversion=python:3.9
 ARG arch=gcc
 ARG OMPI_BRANCH="v4.1.4"
 
 # Base image 
-FROM ${pyversion}-slim-bullseye as base
+FROM ubuntu:22.04 as base
 
 ENV DEBIAN_FRONTEND noninteractive
 
-# Install for basic base not containing it
+# Install python
 RUN apt-get update && \
-    apt-get install -y vim wget git flex libnuma-dev tmux \
+    apt-get install -y dh-autoreconf python3-venv python3-dev python3-pip
+
+# Install for basic base not containing it
+RUN apt-get install -y vim wget git flex libnuma-dev tmux \
         numactl hwloc curl \
         autoconf libtool build-essential procps
 
@@ -24,7 +26,7 @@ RUN curl https://raw.githubusercontent.com/Azrael3000/tmpi/master/tmpi -o /usr/l
 # Install OpenGL library, necessary for the installation of GemPy
 RUN apt-get install -y libgl1-mesa-glx
 
-RUN apt-get clean && apt-get autoclean && apt-get autoremove && \
+RUN apt-get clean && apt-get autoclean && apt-get autoremove  -y && \
     rm -rf /var/lib/apt/lists/*
 
 EXPOSE 8888
@@ -65,16 +67,20 @@ FROM base as oneapi
 RUN wget -O- https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB | gpg --dearmor > /usr/share/keyrings/oneapi-archive-keyring.gpg
 RUN echo "deb [signed-by=/usr/share/keyrings/oneapi-archive-keyring.gpg] https://apt.repos.intel.com/oneapi all main" > /etc/apt/sources.list.d/oneAPI.list
 
-# Drivers mandatory for intel gpus
-RUN curl -fsSL https://repositories.intel.com/graphics/intel-graphics.key | apt-key add -
-RUN echo "deb [trusted=yes arch=amd64] https://repositories.intel.com/graphics/ubuntu all main" > /etc/apt/sources.list.d/intel-graphics.list
-
 # Intel advisor and drivers
 RUN apt-get update -y && \
     # advisor
-    apt-get install -y intel-oneapi-advisor && \
-    # drivers
-    apt-get install -y intel-opencl-icd intel-level-zero-gpu level-zero level-zero-dev
+    apt-get install -y intel-oneapi-advisor
+
+# Drivers mandatory for intel gpu
+# https://dgpu-docs.intel.com/installation-guides/ubuntu/ubuntu-focal.html#ubuntu-20-04-focal
+RUN wget -qO - https://repositories.intel.com/graphics/intel-graphics.key | gpg --dearmor > /usr/share/keyrings/intel-graphics.gpg
+RUN echo "deb [arch=amd64 signed-by=/usr/share/keyrings/intel-graphics.gpg] https://repositories.intel.com/graphics/ubuntu focal main" >  /etc/apt/sources.list.d/intel.list
+
+RUN apt-get update -y && apt-get dist-upgrade -y && \
+    apt-get install -y intel-opencl-icd intel-level-zero-gpu level-zero level-zero-dev \
+                     intel-media-va-driver-non-free libmfx1 libmfxgen1 libvpl2 \
+                     libigc-dev intel-igc-cm libigdfcl-dev libigfxcmrt-dev level-zero-dev
 
 ##############################################################
 # ICC image
@@ -83,7 +89,7 @@ RUN apt-get update -y && \
 FROM oneapi as icc
 
 RUN apt-get update -y && apt-get install -y intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-mpi-devel && \
-    apt-get clean && apt-get autoclean && apt-get autoremove && \
+    apt-get clean && apt-get autoclean && apt-get autoremove -y && \
     rm -rf /var/lib/apt/lists/*
 
 # Devito config
@@ -99,7 +105,7 @@ ENV MPI4PY_FLAGS='. /opt/intel/oneapi/setvars.sh && CFLAGS="-cc=icc"'
 FROM oneapi as icx
 
 RUN apt-get update -y && apt-get install -y intel-oneapi-compiler-dpcpp-cpp intel-oneapi-mpi-devel && \
-    apt-get clean && apt-get autoclean && apt-get autoremove && \
+    apt-get clean && apt-get autoclean && apt-get autoremove -y && \
     rm -rf /var/lib/apt/lists/*
 
 # Devito config
@@ -108,3 +114,29 @@ ENV DEVITO_LANGUAGE="openmp"
 # MPICC compiler for mpi4py
 ENV MPICC=mpiicc
 ENV MPI4PY_FLAGS='. /opt/intel/oneapi/setvars.sh && CFLAGS="-cc=icx"'
+
+##############################################################
+# ICX hpc image
+##############################################################
+FROM oneapi as icx-hpc
+
+# Install both icc and icx to avoid missing dependencies
+RUN apt-get update -y && \
+    apt-get install -y intel-oneapi-compiler-dpcpp-cpp intel-oneapi-mpi-devel  && \
+    apt-get install -y intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic
+
+# Missig components
+# https://www.intel.com/content/www/us/en/developer/tools/oneapi/hpc-toolkit-download.html?operatingsystem=linux&distributions=aptpackagemanager
+RUN curl -f "https://registrationcenter-download.intel.com/akdlm/IRC_NAS/ebf5d9aa-17a7-46a4-b5df-ace004227c0e/l_dpcpp-cpp-compiler_p_2023.2.1.8.sh" -O && \
+    chmod +x l_dpcpp-cpp-compiler_p_2023.2.1.8.sh && ./l_dpcpp-cpp-compiler_p_2023.2.1.8.sh -a -s  --eula accept && \
+    rm l_dpcpp-cpp-compiler_p_2023.2.1.8.sh
+
+RUN apt-get clean && apt-get autoclean &&  apt-get autoremove -y && \
+    rm -rf /var/lib/apt/lists/*
+
+# Devito config
+ENV DEVITO_ARCH="icx"
+ENV DEVITO_LANGUAGE="openmp"
+# MPICC compiler for mpi4py
+ENV MPICC=mpiicc
+ENV MPI4PY_FLAGS='. /opt/intel/oneapi/setvars.sh && CFLAGS="-cc=icx"'

docker/Dockerfile.devito

@@ -15,6 +15,9 @@ ARG GROUP_ID=1000
 # Copy Devito
 ADD . /app/devito
 
+# Update if outdated
+RUN apt-get update && apt-get upgrade -y
+
 # Remove git files
 RUN rm -rf /app/devito/.git
 
@@ -29,7 +32,7 @@ RUN python3 -m venv /venv && \
 
 # Usefull utilities
 # Nvtop
-RUN apt update && apt install -y git cmake libncurses5-dev libncursesw5-dev libdrm-dev libsystemd-dev cmake && \
+RUN apt-get install -y git cmake libncurses5-dev libncursesw5-dev libdrm-dev libsystemd-dev cmake && \
     git clone https://github.com/Syllo/nvtop.git /app/nvtop && \
     mkdir -p /app/nvtop/build && cd /app/nvtop/build && \
     cmake .. -DNVIDIA_SUPPORT=ON -DAMDGPU_SUPPORT=ON -DINTEL_SUPPORT=ON && \
@@ -38,7 +41,7 @@ RUN apt update && apt install -y git cmake libncurses5-dev libncursesw5-dev libd
     ln -fs /app/nvtop/build/src/nvtop /venv/bin/nvtop
 
 # Safety cleanup
-RUN apt-get clean && apt-get autoclean && apt-get autoremove && \
+RUN apt-get clean && apt-get autoclean && apt-get autoremove -y && \
     rm -rf /var/lib/apt/lists/*
 
 FROM $base as user

docker/Dockerfile.nvidia

@@ -2,16 +2,19 @@
 # This Dockerfile contains the NVidia HPC SDK (nvc, cuda, OpenMPI) for Devito
 ##############################################################
 ARG ver
-ARG pyversion=python:3.9
 ARG arch="nvc"
 
 ########################################################################
 # Build base image with apt setup and common env
 ########################################################################
-FROM ${pyversion}-slim-bullseye as sdk-base
+FROM ubuntu:22.04 as sdk-base
 
 ENV DEBIAN_FRONTEND noninteractive
 
+# Install python
+RUN apt-get update && \
+    apt-get install -y dh-autoreconf python3-venv python3-dev python3-pip
+
 RUN apt-get update -y && \
     apt-get install -y -q gpg apt-utils curl wget vim libnuma-dev tmux numactl
 
@@ -131,7 +134,7 @@ RUN python3 -m venv /venv && \
     /venv/bin/jupyter serverextension enable dask_labextension && \
     rm -rf ~/.cache/pip
 
-RUN apt-get clean && apt-get autoclean && apt-get autoremove && \
+RUN apt-get clean && apt-get autoclean && apt-get autoremove -y && \
     rm -rf /var/lib/apt/lists/*
 
 EXPOSE 8888