From fed6b5286aae33b330609d972fd8cdea309ed498 Mon Sep 17 00:00:00 2001 From: agsunderland <andrew.sunderland@stfc.ac.uk> Date: Fri, 15 Apr 2022 00:44:13 +0100 Subject: [PATCH] PFARM summary in Table --- README.md | 35 +++++++++-------------------------- 1 file changed, 9 insertions(+), 26 deletions(-) diff --git a/README.md b/README.md index 1b92950..865b640 100644 --- a/README.md +++ b/README.md @@ -215,7 +215,15 @@ The application codes that constitute the UEABS are: <td>NEMO (Nucleus for European Modelling of the Ocean) is a mathematical modelling framework for research activities and prediction services in ocean and climate sciences developed by a European consortium. It is intended to be a tool for studying the ocean and its interaction with the other components of the earth climate system over a large number of space and time scales. It comprises of the core engines namely OPA (ocean dynamics and thermodynamics), SI3 (sea ice dynamics and thermodynamics), TOP (oceanic tracers) and PISCES (biogeochemical process).</td> </tr> <tr> - <td>PFARM</td> + <td>PFARM + <ul> + <li><a href="https://www.ccpq.ac.uk/node/4">website</a></li> + <li><a href="https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/pfarm">source</a></li> + <li><a href="pfarm/PFARM_Build_Run_README.txt">instructions</a></li> + <li><a href="https://repository.prace-ri.eu/ueabs/PFARM/2.2/test_case_1_atom">Test Case 1</a></li> + <li><a href="https://repository.prace-ri.eu/ueabs/PFARM/2.2/test_case_2_mol">Test Case 2</a></li> + </ul> + </td> <td>21,434</td> <td>X</td> <td>X</td> @@ -338,28 +346,3 @@ The code can be used for plain Newtonian dynamics, or for cosmological integrati - [Case C: Adiabatic collapse of a gas sphere](./gadget/4.0/gadget4-case-C.tar.gz) - [Code used in the benchmarks](./gadget/4.0/gadget4.tar.gz) - [Build & run instructions, details about the benchmarks](./gadget/4.0/README.md) - - - -# PFARM <a name="pfarm"></a> - -PFARM is part of a suite of programs based on the ‘R-matrix’ ab-initio approach to the variational solution of the many-electron Schrödinger -equation for electron-atom and electron-ion scattering. The package has been used to calculate electron collision data for astrophysical -applications (such as: the interstellar medium, planetary atmospheres) with, for example, various ions of Fe and Ni and neutral O, plus -other applications such as data for plasma modelling and fusion reactor impurities. The code has recently been adapted to form a compatible -interface with the UKRmol suite of codes for electron (positron) molecule collisions thus enabling large-scale parallel ‘outer-region’ -calculations for molecular systems as well as atomic systems. - -The PFARM outer-region application code EXDIG is domi-nated by the assembly of sector Hamiltonian matrices and their subsequent eigensolutions. -The code is written in Fortran 2003 (or Fortran 2003-compliant Fortran 95), is parallelised using MPI and OpenMP and is designed to take -advantage of highly optimised, numerical library routines. Hybrid MPI / OpenMP parallelisation has also been introduced into the code via -shared memory enabled numerical library kernels. - -Accelerator-based implementations have been implemented for EXDIG, using off-loading (MKL or CuBLAS/CuSolver) for the standard (dense) eigensolver calculations that dominate overall run-time. - -Code download: https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/pfarm -- Build & Run instructions: https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/pfarm/PFARM_Build_Run_README.txt -- Test Case 1: https://repository.prace-ri.eu/ueabs/PFARM/2.2/test_case_1_atom -- Test Case 2: https://repository.prace-ri.eu/ueabs/PFARM/2.2/test_case_2_mol - - -- GitLab