Software
This page summarises the software available across the cluster, please keep in mind that available packages and versions may vary between the different architectures of GW4 Isambard.
Python VirtualEnv
Python Virtual Environments provide a self-contained Python installation where you can install modules without altering your profile and other project’s python environemnts.
Load an appropriate python module.
> python3 -m venv myvenv
> cd myvenv
> source bin/activate
> python -m pip install -U pip
MACS
MACS Python
Python3 is provided as part of the MACS system
> python3 --version
Python 3.5.1
> python2 --version
Python 2.7.5
MACS Module list
Last updated 2021-07-27
Module |
Description |
|---|---|
allinea/forge |
Allinea Forge - Allinea DDT and Allinea MAP |
allinea/reports |
Allinea Performance Reports 7.0.6 - Allinea Performance Reports |
anaconda/3 |
|
arm/forge/20.1.1 |
allinea forge |
bazel |
adds bazel to your environment variables |
blacs/openmpi/gcc/64 |
adds Blacs to your environment variables |
blas/gcc/64 |
Adds BLAS library for GNU Fortran 64 bits to your environment. |
bonnie++ |
Adds bonnie++ to your environment |
cce |
|
cce/10.0.0 |
|
cdt/17.11 |
|
cdt/19.09 |
|
cdt/19.12 |
|
cdt/20.05 |
|
cluster-tools |
Adds cluster-tools to your environment |
cmake |
adds CMake 3.12.3 to your environment variables |
cmd |
Adds the CMDaemon binaries to your path. |
cm-pmix3 |
Sets up PMIx v3.1.4 in your enviornment |
covid-19-covidsim |
|
cray-ccdb |
Loads the CCDB gui. |
cray-cti |
Loads the Cray Tools Interface. |
cray-fftw |
FFTW 3.3.6.2 - Fastest Fourier Transform in the West |
cray-fftw |
FFTW 3.3.8.3 - Fastest Fourier Transform in the West |
cray-fftw |
FFTW 3.3.8.4 - Fastest Fourier Transform in the West |
cray-fftw |
FFTW 3.3.8.5 - Fastest Fourier Transform in the West |
cray-fftw_impi |
FFTW 3.3.6.2 - Fastest Fourier Transform in the West |
cray-fftw_impi |
FFTW 3.3.8.3 - Fastest Fourier Transform in the West |
cray-fftw_impi |
FFTW 3.3.8.4 - Fastest Fourier Transform in the West |
cray-fftw_impi |
FFTW 3.3.8.5 - Fastest Fourier Transform in the West |
cray-impi/5 |
loads the Intel MPI software development environment driver |
cray-impi |
loads the Intel MPI software development environment driver |
cray-impi |
loads the Intel MPI software development environment driver Cray PE Intel MPI |
cray-lgdb |
Loads the Cray Line Mode Parallel Debugger. |
cray-libsci/16.09.1 |
Cray Scientific Libraries |
cray-libsci/17.11.1 |
Cray Scientific Libraries |
cray-libsci/19.06.1 |
Cray Scientific Libraries |
cray-libsci/20.03.1 |
Cray Scientific Libraries |
cray-libsci_acc/16.09.1 |
Cray Scientific Libraries for GPU |
cray-libsci_acc/17.03.1 |
Cray Scientific Libraries for GPU |
cray-libsci_acc/19.06.1 |
Cray Scientific Libraries for GPU |
cray-libsci_acc/19.10.1 |
Cray Scientific Libraries for GPU |
cray-libsci_acc/20.03.1 |
Cray Scientific Libraries for GPU |
cray-mvapich2 |
Cray PE MVAPICH2 |
cray-mvapich2-gdr-2_2 |
Cray PE MVAPICH2 GDR |
cray-mvapich2-gdr-4.cuda8.0.mofed3.4pbs |
Cray PE MVAPICH2 GDR |
cray-mvapich2_gnu |
Cray PE MVAPICH2 |
cray-mvapich2_nogpu |
Cray PE MVAPICH2 |
cray-mvapich2_nogpu_gnu |
Cray PE MVAPICH2 |
cray-mvapich2_noslurm_cuda101 |
Cray PE MVAPICH2 |
cray-mvapich2_noslurm_cuda102 |
Cray PE MVAPICH2 |
cray-mvapich2_noslurm_nogpu |
Cray PE MVAPICH2 |
craype-accel-nvidia20 |
Sets options and paths required to build for target=nvidia20 (Fermi GPU) |
craype-accel-nvidia35 |
Sets options and paths required to build for target=nvidia35 (Kepler GK110 GPU) |
craype-accel-nvidia52 |
Sets options and paths required to build for target=nvidia52 (Maxwell GPU) |
craype-accel-nvidia60 |
Sets options and paths required to build for target=nvidia60 (Pascal GPU) |
craype-accel-nvidia70 |
Sets options and paths required to build for target=nvidia70 (Volta GPU) |
craype-broadwell |
Targeting module for the Intel Broadwell processor. |
craype-dl-plugin-py2/mvapich/19.09.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-dl-plugin-py2/openmpi/19.09.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-dl-plugin-py3/mvapich/19.09.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-dl-plugin-py3/mvapich/19.12.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-dl-plugin-py3/mvapich/20.05.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-dl-plugin-py3/openmpi/19.09.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-dl-plugin-py3/openmpi/19.12.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-dl-plugin-py3/openmpi/20.05.1 |
craype-dl-plugin - Cray PE DL Plugin |
craype-haswell |
Targeting module for the Intel Haswell processor. |
craype-ivybridge |
Targeting module for the Intel Ivybridge processor. |
craype-mic-knl |
Targeting module for the Intel Knights Landing processor. |
craype-network-infiniband |
Targeting module for Infinband interconnect. |
craype-network-opa |
Targeting module for Intel Omnipath Architecture interconnect. |
craype-sandybridge |
Targeting module for the Intel Sandybridge processor. |
craype |
Setup for Cray PE driver set and targeting modules. |
craype-x86-rome |
Targeting module for the AMD Rome processor. |
craype-x86-skylake |
Targeting module for the Intel Skylake processor. |
craypkg-gen |
|
cuda10.1/blas/10.1.243 |
adds CUDA 10.1 BLAS libraries to your environment variables |
cuda10.1/fft/10.1.243 |
adds CUDA 10.1 FFT libraries to your environment variables |
cuda10.1/nsight/10.1.243 |
adds NVIDIA CUDA 10.1 Visual Profiler to your environment variables |
cuda10.1/profiler/10.1.243 |
adds NVIDIA CUDA 10.1 Visual Profiler to your environment variables |
cuda10.1/toolkit/10.1.243 |
adds NVIDIA CUDA 10.1 Toolkit to your environment variables |
cuda10.2/blas/10.2.89 |
adds CUDA 10.2 BLAS libraries to your environment variables |
cuda10.2/fft/10.2.89 |
adds CUDA 10.2 FFT libraries to your environment variables |
cuda10.2/toolkit/10.2.89 |
adds NVIDIA CUDA 10.2 Toolkit to your environment variables |
cuda80/blas |
adds CUDA 8.0 BLAS libraries to your environment variables |
cuda80/fft |
adds CUDA 8.0 FFT libraries to your environment variables |
cuda80/nsight |
adds NVIDIA CUDA 8.0 Visual Profiler to your environment variables |
cuda80/profiler |
adds NVIDIA CUDA 8.0 Visual Profiler to your environment variables |
cuda80/toolkit |
adds NVIDIA CUDA 8.0 Toolkit to your environment variables |
cudatoolkit |
|
cudnn |
|
default-environment |
adds default environment modules |
dot |
adds `.’ to your PATH environment variable |
fftw2/openmpi/gcc/64/double |
Adds FFTW library for 64 bits to your environment |
fftw2/openmpi/gcc/64/float |
Adds FFTW library for 64 bits to your environment |
fftw3/openmpi/gcc/64 |
Adds FFTW library for 64 bits to your environment |
fftw |
FFTW 3.3.4.11 - Fastest Fourier Transform in the West |
fftw_impi |
FFTW 3.3.4.11 - Fastest Fourier Transform in the West |
freeipmi |
adds FREEIPMI to your environment variables |
gcc |
|
gcc |
adds GNU Cross Compilers to your environment variables |
gdb4hpc |
Loads the Cray Line Mode Parallel Debugger. |
gdb |
adds GNU Cross Compilers to your environment variables |
globalarrays/openmpi/gcc/64 |
Adds Globalarrays library for 64 bits to your environment |
hdf5_18 |
adds HDF5 to your environment variables |
hdf5 |
adds HDF5 to your environment variables |
hpl |
adds HPL to your environment variables |
hwloc |
Adds hwloc to your environment |
intel/compiler/32/2017/17.0.1 |
adds Intel compilers to your environment variables |
intel/compiler/64/2017/17.0.1 |
adds Intel compilers to your environment variables |
intel/mkl/64/2017 |
adds Intel Math Kernel Library to your environment variables |
intel/mkl/mic/2017 |
adds Intel Math Kernel Library to your environment variables |
intel-parallel-studio-xe/compilers/64/2017u2/17.0.2 |
adds Intel compilers to your environment variables |
intel-parallel-studio-xe/compilers/64/2019u4/19.0.4 |
adds Intel compilers to your environment variables |
intel-parallel-studio-xe/compilers/64/2020u4/20.0.4 |
adds Intel compilers to your environment variables |
intel-parallel-studio-xe/mpi/64/2017u2 |
adds Intel MPI Library to your environment variables |
intel-parallel-studio-xe/mpi/64/2019u4 |
adds Intel MPI Library to your environment variables |
intel-parallel-studio-xe/mpi/64/2020u4/20.0.4 |
adds Intel MPI Library to your environment variables |
intel-parallel-studio-xe/vtune_amplifier_xe/2017 |
adds Intel compilers to your environment variables |
intel-tbb-oss/ia32/2020.1 |
adds Intel TBB libraries to your environment variables |
intel-tbb-oss/intel64/2020.1 |
adds Intel TBB libraries to your environment variables |
iozone/3_482 |
Adds iozone to your environment |
ipmitool |
adds IPMItool to your environment variables |
lapack/gcc/64 |
Adds LAPACK library for GCC 64 bits to your environment. |
lua |
adds LUA to your environment variables |
module-git |
get last version of the module sources from GitHub |
module-info |
returns all various module-info values |
mpich/ge/gcc/64 |
adds MPICH-gcc to your environment variables |
mvapich2_cce |
Cray PE MVAPICH |
mvapich2/gcc/64 |
adds MVAPICH2-gcc to your environment variables |
mvapich2_gnu |
Cray PE MVAPICH |
netcdf/gcc/64 |
Adds NetCDF to your environment |
netperf |
adds NETPERF to your environment variables |
null |
does absolutely nothing |
nvhpc/20.11 |
|
openblas/dynamic |
adds OpenBLAS libraries to your environment variables |
openldap |
Adds the OpenLDAP binaries to your path. |
openmpi |
Adds library to environment |
openmpi/gcc/64 |
adds OpenMPI to your environment variables |
papi |
PAPI - The Performance API (PAPI) project specifies a standard application programming interface (API) for accessing hardware performance counters available on most Cray systems. |
pbspro/19.2.4.20190830141245 |
adds PBS Pro to your environment variables. |
perftools |
|
perftools-base/20.03.0 |
The Performance Tools module sets up environments for CrayPat, Apprentice2 and Reveal |
perftools-base |
The Performance Tools module sets up environments for CrayPat, Apprentice2 and Reveal |
perftools-lite |
|
pgi/18.10 |
Changes the PGI home directory to linux86-64 18.10 |
pgi/19.10 |
Changes the PGI home directory to linux86-64-llvm 19.10 |
pgi/19.4 |
Changes the PGI home directory to linux86-64-llvm 19.4 |
pgi/2018 |
Changes the PGI home directory to linux86-64-llvm 2018 |
pgi/2019 |
Changes the PGI home directory to linux86-64-llvm 2019 |
pgi/64/19.4 |
adds Portland Group compilers to your environment variables |
pgi-llvm |
|
PrgEnv-cray |
|
PrgEnv-pgi/18.10 |
|
PrgEnv-pgi/19.10 |
|
PrgEnv-pgi/19.4 |
|
python2 |
Description: Python is a programming language that lets you work more quickly and integrate your systems more effectively. - Homepage: https://www.python.org/ |
python36 |
Description: Python is a programming language that lets you work more quickly and integrate your systems more effectively. - Homepage: https://www.python.org/ |
R |
|
scalapack/openmpi/gcc/64 |
adds Scalapack to your environment variables |
sge/2011.11p1 |
Adds sge to your environment |
shared |
adds shared modules |
slurm/18.08.9 |
Adds SLURM to your environment |
tools/arm-forge/20.1 |
Arm Forge |
valgrind4hpc |
Valgrind for HPC. |
XCI
XCI Python
Cray provides an optimzied Python3 build via the cray-python module.
> module load cray-python
> python3 --version
Python 3.7.3
Without this module loaded, python points to python2. Python2 can be invoked even with cray-python loaded by running python2 explicitly.
XCI Module list
Last updated 2021-07-27
Module |
Description |
|---|---|
allinea |
|
allinea/19.2.0.0 |
|
allinea/19.3.0.0 |
|
allinea/20.0.0.0 |
|
apps/covidsim |
|
apps/gromacs/2018.4 |
gromacs 2018.4 with MPI |
apps/gromacs/2019.1 |
gromacs 2019.1 with MPI |
apps/gromacs/2019.3 |
gromacs 2019.3 with MPI |
apps/gromacs/2020.2 |
gromacs 2020.2 with MPI |
apps/gromacs/2020.2-plumed-2.6.1 |
gromacs 2020.2 with MPI, patched with Plumed 2.6.1 |
apps/julia |
Julia 1.4.2 |
apps/openfoam/v1812-gcc7.3-craympich-7.7.6 |
Adds OpenFOAM v1812 to your path |
apps/openfoam/v1906-gcc7.3-craympich-7.7.6 |
Adds OpenFOAM v1906 to your path |
apps/openfoam/v7.0-gcc7.3-craympich-7.7.6 |
Adds OpenFOAM 7 to your path |
apps/plumed |
Plumed 2.6.1 - The community-developed PLUgin for MolEcular Dynamics |
apps/VTK |
|
atp |
|
atp |
Loads Abnormal Termination Processing (ATP). |
Base-opts |
|
capmc |
Cray Power Capping configuration tool. |
cce |
|
cce/10.0.0.1043-sve-alpha |
|
cce/10.0.1 |
|
cce/11.0.0.7500 |
|
cce/11.0.1 |
|
cdt/19.03 |
|
cdt/19.06 |
|
cdt/19.08 |
|
cdt/19.12 |
|
cdt/20.03 |
|
cdt/20.06 |
|
cdt/20.12 |
|
cray-ccdb |
Loads the CCDB gui. |
cray-cti |
Loads the Cray Common Tools Interface. |
cray-cti |
Loads the Cray Tools Interface. |
cray-fftw |
FFTW 3.3.8.2 - Fastest Fourier Transform in the West |
cray-fftw |
FFTW 3.3.8.3 - Fastest Fourier Transform in the West |
cray-fftw |
FFTW 3.3.8.5 - Fastest Fourier Transform in the West |
cray-fftw |
FFTW 3.3.8.6 - Fastest Fourier Transform in the West |
cray-fftw |
FFTW 3.3.8.8 - Fastest Fourier Transform in the West |
cray-ga |
Loads the Global Arrays library |
cray-hdf5 |
|
cray-hdf5-parallel |
|
cray-jemalloc |
jemalloc for use on XC systems. |
cray-lgdb |
Loads the Cray Line Mode Parallel Debugger. |
cray-libsci/18.12.1 |
Cray Scientific Libraries |
cray-libsci/19.06.1 |
Cray Scientific Libraries |
cray-libsci/20.06.1 |
Cray Scientific Libraries |
cray-libsci/20.09.1 |
Cray Scientific Libraries |
cray-mpich-abi |
|
cray-mpich-abi |
cray-mpich-abi - Cray MPICH ABI Compatibility Module |
cray-mpich |
cray-mpich - Cray MPICH Message Passing Interface |
cray-netcdf |
|
cray-netcdf-hdf5parallel |
|
cray-openshmemx |
cray-openshmemx - Logically shared distributed memory access routines |
cray-parallel-netcdf |
cray-parallel-netcdf - A parallel I/O library for NetCDF file access |
craype-aarch64 |
Targeting module for generic aarch64 cpu. |
craype-arm-thunderx2 |
Targeting module for ThunderX2 aarch64 processor. |
craype-hugepages128M |
|
craype-hugepages16M |
|
craype-hugepages1G |
|
craype-hugepages256M |
|
craype-hugepages2G |
|
craype-hugepages2M |
|
craype-hugepages32M |
|
craype-hugepages4M |
|
craype-hugepages512M |
|
craype-hugepages64M |
|
craype-hugepages8M |
|
craype-network-aries |
Targeting module for the Aries interconnect. |
craype-network-none |
Targeting module for ommiting network specific libraries. |
craype |
Setup for Cray PE driver set and targeting modules. |
cray-python |
Python compatible with Cray PE libraries |
cray-python |
python for XC |
cray-R |
R for use on XC systems. |
cray-snplauncher |
cray-snplauncher - Cray single parallel node application launcher for Service MAMU |
cray-stat |
Loads the Cray Stack Trace Analysis Tool. |
gcc |
|
gcc/10.1.0 |
|
gdb4hpc |
Loads the Cray Line Mode Parallel Debugger. |
lustre-cray_ari_s |
|
modules |
loads the modules environment |
modules |
Setup for the Cray Programming Enironment. Sets env vars to define user environment. |
papi |
PAPI - The Performance API (PAPI) project specifies a standard application programming interface (API) for accessing hardware performance counters available on most Cray systems. |
perftools |
|
perftools-base/20.03.0 |
The Performance Tools module sets up environments for CrayPat, Apprentice2 and Reveal |
perftools-base/20.06.0 |
The Performance Tools module sets up environments for CrayPat, Apprentice2 and Reveal |
perftools-base/20.12.0 |
The Performance Tools module sets up environments for CrayPat, Apprentice2 and Reveal |
perftools-base |
The Performance Tools module sets up environments for CrayPat, Apprentice2 and Reveal |
perftools-lite |
|
perftools-lite-events |
|
perftools-lite-gpu |
|
perftools-lite-hbm |
|
perftools-lite-loops |
|
perftools-nwpc |
|
perftools-preload |
|
pmi-lib |
|
pmi |
pmi - Cray Process Management Interface |
PrgEnv-allinea |
|
PrgEnv-cray |
|
PrgEnv-gnu |
|
stat |
STAT - Stack Trace Analysis Tool |
tools/arm-compiler/20.1 |
Arm C/C++/Fortran Compiler 20.1. |
tools/arm-forge/19.1 |
Arm Forge |
tools/arm-forge/20.1.1 |
Arm Forge |
tools/arm-forge/21.0 |
Arm Forge |
tools/armie/19.0 |
Arm Instruction Emulator 19.0. |
tools/armie/19.1 |
Arm Instruction Emulator 19.1. |
tools/cmake |
CMake |
tools/cylc |
Cylc is a workflow engine for cycling systems |
tools/EasyBuild |
Description: EasyBuild is a software build and installation framework Homepage: https://easybuilders.github.io/easybuild URL: https://easybuilders.github.io/easybuild |
tools/fcm/2019.05.0 |
FCM: a modern Fortran build system + wrappers to Subversion for scientific software development |
tools/gcc |
GCC |
tools/gnu-parallel/20190422 |
GNU Parallel |
tools/rose/2019.01.2 |
Rose is a toolkit for writing, editing and running application configurations. |
tools/singularity |
Singularity container tool |
valgrind4hpc |
Loads Parallel Valgrind tool (valgrind4hpc). |
A64FX
A64FX Python
Builds exist in both /projects/bristol/modules-arm/modulefiles & /projects/bristol/modules-a64fx/modulefiles
A64FX Module list
Last updated 2021-07-27
> module use
> module avail python
> module load python/3.9.2
> python3 --version
Python 3.9.2
Module |
Description |
|---|---|
apps/covidsim |
|
apps/gromacs/2018.4 |
gromacs 2018.4 with MPI |
apps/gromacs/2019.1 |
gromacs 2019.1 with MPI |
apps/gromacs/2019.3 |
gromacs 2019.3 with MPI |
apps/gromacs/2020.2 |
gromacs 2020.2 with MPI |
apps/gromacs/2020.2-plumed-2.6.1 |
gromacs 2020.2 with MPI, patched with Plumed 2.6.1 |
apps/julia |
Julia 1.4.2 |
apps/openfoam/v1812-gcc7.3-craympich-7.7.6 |
Adds OpenFOAM v1812 to your path |
apps/openfoam/v1906-gcc7.3-craympich-7.7.6 |
Adds OpenFOAM v1906 to your path |
apps/openfoam/v7.0-gcc7.3-craympich-7.7.6 |
Adds OpenFOAM 7 to your path |
apps/plumed |
Plumed 2.6.1 - The community-developed PLUgin for MolEcular Dynamics |
apps/VTK |
|
atp |
Loads Abnormal Termination Processing (ATP). |
cce/10.0.3 |
|
cce-sve/10.0.1 |
|
cpe-cray |
|
cray-ccdb |
Loads the CCDB gui. |
cray-cti |
Loads the Cray Common Tools Interface. |
cray-fftw |
FFTW 3.3.8.8 - Fastest Fourier Transform in the West |
cray-hdf5 |
|
cray-hdf5-parallel |
|
cray-libsci/20.09.1.1 |
Cray Scientific Libraries |
cray-libsci/20.10.1.2 |
Cray Scientific Libraries |
cray-mvapich2_nogpu |
Cray PE MVAPICH2 |
cray-mvapich2_nogpu_noregcache |
Cray PE MVAPICH2 |
cray-mvapich2_nogpu_noregcache_svealpha |
Cray PE MVAPICH2 |
cray-mvapich2_nogpu_svealpha |
Cray PE MVAPICH2 |
cray-mvapich2_noslurm_nogpu |
Cray PE MVAPICH2 |
cray-netcdf |
|
cray-netcdf-hdf5parallel |
|
cray-parallel-netcdf |
cray-parallel-netcdf - A parallel I/O library for NetCDF file access |
craype-arm-nsp1 |
Targeting module for sve aarch64 processor. |
craype-arm-thunderx2 |
Targeting module for ThunderX2 aarch64 processor. |
craype-network-infiniband |
Targeting module for Infinband interconnect. |
craype |
Setup for Cray PE driver set and targeting modules. |
craypkg-gen |
|
cray-stat |
Loads the Cray Stack Trace Analysis Tool. |
gcc |
|
gdb4hpc |
Loads the Cray Line Mode Parallel Debugger. |
papi |
PAPI - The Performance API (PAPI) project specifies a standard application programming interface (API) for accessing hardware performance counters available on most Cray systems. |
perftools-base/20.10.0 |
The Performance Tools module sets up environments for CrayPat, Apprentice2 and Reveal |
PrgEnv-cray |
|
tools/arm-compiler/20.1 |
Arm C/C++/Fortran Compiler 20.1. |
tools/arm-forge/19.1 |
Arm Forge |
tools/arm-forge/20.1.1 |
Arm Forge |
tools/arm-forge/21.0 |
Arm Forge |
tools/armie/19.0 |
Arm Instruction Emulator 19.0. |
tools/armie/19.1 |
Arm Instruction Emulator 19.1. |
tools/armie/19.1 |
Arm Instruction Emulator 19.1. |
tools/cmake |
CMake |
tools/cylc |
Cylc is a workflow engine for cycling systems |
tools/EasyBuild |
Description: EasyBuild is a software build and installation framework Homepage: https://easybuilders.github.io/easybuild URL: https://easybuilders.github.io/easybuild |
tools/fcm/2019.05.0 |
FCM: a modern Fortran build system + wrappers to Subversion for scientific software development |
tools/gcc |
GCC |
tools/gnu-parallel/20190422 |
GNU Parallel |
tools/rose/2019.01.2 |
Rose is a toolkit for writing, editing and running application configurations. |
tools/singularity |
Singularity container tool |
valgrind4hpc |
Loads Parallel Valgrind tool (valgrind4hpc). |