MPI on ARCHER Documentation  See https://www.archer.ac.uk/documentation/user-guide/ – Accessing the service – Resource Allocation and Job Execution Access  SSH access: ssh –X login.archer.ac.uk -X – flag ensures graphics are sent back to your workstation/laptop  Using ssh – Trivial for Linux (open a terminal) – Mac (open a terminal) • local X server must be enabled to display any graphics – Windows • require an ssh-client, e.g. putty – http://www.chiark.greenend.org.uk/~sgtatham/putty/download.html – select SSH -> X11 -> “Enable X11 forwarding” • require an X server, e.g. xming – http://sourceforge.net/projects/xming/ Setup  Take a copy of MPP-templates.tar wget http://archer.ac.uk/training/course- material/.../Exercises/MPP-templates.tar – replace “…” by YYY/MM/CourseName_Location  unpack: tar -xvf MPP-templates.tar Compilers on ARCHER  ARCHER has 3 compilers available – Intel – GNU – Cray  Cray compiler is the default when logging on  Software on ARCHER is controlled using modules – the GNU “modules” framework to support multiple software versions and to create integrated software packages Default modules example adrianj@eslogin001:~> module list Currently Loaded Modulefiles: 1) modules/3.2.6.7 2) nodestat/2.2-1.0500.41375.1.85.ari 3) sdb/1.0-1.0500.43793.6.11.ari 4) alps/5.0.3-2.0500.8095.1.1.ari 5) MySQL/5.0.64-1.0000.7096.23.1 6) lustre-cray_ari_s/2.3_3.0.58_0.6.6.1_1.0500.7272.12.1- 1.0500.44935.7.1 7) udreg/2.3.2-1.0500.6756.2.10.ari 8) ugni/5.0-1.0500.0.3.306.ari 9) gni-headers/3.0-1.0500.7161.11.4.ari 10) dmapp/6.0.1-1.0500.7263.9.31.ari 11) xpmem/0.1-2.0500.41356.1.11.ari 12) hss-llm/7.0.0 13) Base-opts/1.0.2-1.0500.41324.1.5.ari 14) craype-network-aries 15) craype/1.06.05 16) cce/8.2.0.181 ... Viewing available modules  There are hundreds of possible modules available to users. – Beyond the pre-loaded defaults there are many additional packages provided by Cray  Users can see all the modules that can be loaded using the command: – module avail  Searches can be narrowed by passing the first few characters of the desired module, e.g. adrianj@eslogin001 :~> module avail gc ------------------------------- /opt/modulefiles -------------------------- -- gcc/4.6.1 gcc/4.7.2 gcc/4.8.0 gcc/4.6.3 gcc/4.7.3 gcc/4.8.1(default) Modifying the default environment  Loading, swapping or unloading modules: – The default version of any inidividual modules can be loaded by name • e.g.: module load perftools – A specific version can be specified after the forward slash. • e.g.: module load perftools/6.1.0 – Modules can be swapped out in place • e.g.: module swap intel intel/13.1.1.163 – Or removed entirely • e.g.: module unload perftools  Modules will automatically change values of variables like PATH, MANPATH, LM_LICENSE_FILE... etc – Modules also provide a simple mechanism for updating certain environment variables, such as PATH, MANPATH, and LD_LIBRARY_PATH – In general, you should make use of the modules system rather than embedding specific directory paths into your startup files, makefiles, and scripts adrianj@eslogin008:~> module show fftw ------------------------------------------------------------------- /opt/cray/modulefiles/fftw/3.3.0.4: setenv FFTW_VERSION 3.3.0.4 setenv CRAY_FFTW_VERSION 3.3.0.4 setenv FFTW_DIR /opt/fftw/3.3.0.4/sandybridge/lib setenv FFTW_INC /opt/fftw/3.3.0.4/sandybridge/include prepend-path PATH /opt/fftw/3.3.0.4/sandybridge/bin prepend-path MANPATH /opt/fftw/3.3.0.4/share/man prepend-path CRAY_LD_LIBRARY_PATH /opt/fftw/3.3.0.4/sandybridge/lib setenv PE_FFTW_REQUIRED_PRODUCTS PE_MPICH prepend-path PE_PKGCONFIG_PRODUCTS PE_FFTW setenv PE_FFTW_TARGET_interlagos interlagos setenv PE_FFTW_TARGET_sandybridge sandybridge setenv PE_FFTW_TARGET_x86_64 x86_64 setenv PE_FFTW_VOLATILE_PKGCONFIG_PATH /opt/fftw/3.3.0.4/@PE_FFTW_TARGET@/lib/pkgconfig prepend-path PE_PKGCONFIG_LIBS fftw3f_mpi:fftw3f_threads:fftw3f:fftw3_mpi:fftw3_threads:fftw3 module-whatis FFTW 3.3.0.4 - Fastest Fourier Transform in the West ------------------------------------------------------------------- Compilers on ARCHER  All applications that will run in parallel on the Cray XC should be compiled with the standard language wrappers. The compiler drivers for each language are: – cc – wrapper around the C compiler – CC – wrapper around the C++ compiler – ftn – wrapper around the Fortran compiler  These scripts will choose the required compiler version, target architecture options, scientific libraries and their include files automatically from the module environment.  Use them exactly like you would the original compiler, e.g. To compile prog1.f90 run ftn -c prog1.f90