diff --git a/README.md b/README.md index 7481243dbc7f1bfffbf9294dcf2e3ffee98a5d8a..4b84489334c29af81970a86faa514bc5a6a5cfa8 100644 --- a/README.md +++ b/README.md @@ -229,9 +229,9 @@ GROMACS supports all the usual algorithms you expect from a modern molecular dyn <tr> <td>Quantum ESPRESSO <ul> - <li><a href='https://www.quantum-espresso.org/'>website</a></li> - <li><a href='https://www.quantum-espresso.org/download-page/'>source</a></li> - <li><a href='quantum_espresso/README.md#installation-and-requirements'>Build instructions</a></li> + <li><a href='https://www.quantum-espresso.org/'>Website</a></li> + <li><a href='https://www.quantum-espresso.org/download-page/'>Source</a></li> + <li><a href='quantum_espresso/README.md#installation-and-requirements'>Build and Run instructions</a></li> <li><a href='https://repository.prace-ri.eu/ueabs/Quantum_Espresso/QuantumEspresso_TestCaseA.tar.gz'>Test Case A</a></li> <li><a href='https://repository.prace-ri.eu/ueabs/Quantum_Espresso/QuantumEspresso_TestCaseB.tar.gz'>Test Case B</a></li> </ul> @@ -304,7 +304,6 @@ _**TODO for all BCOs: move all information below this line either in the Table a - [NAMD](#namd) - [PFARM](#pfarm) - [QCD](#qcd) -- [Quantum Espresso](#espresso) - [SPECFEM3D](#specfem3d) # ALYA <a name="alya"></a> @@ -467,3 +466,15 @@ Code download: https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/pf | <br>[- Source](https://lattice.github.io/quda/) <br>[- Bench](https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/qcd/part_2) <br>[- Summary](https://repository.prace-ri.eu/git/UEABS/ueabs/-/blob/r2.2-dev/qcd/part_2/README.md) | lattice Quantum Chromodynamics Part 2 - QUDA | C++ | yes | yes | yes (CUDA) | -- | Part 2: GPU is using a QUDA kernel for running on NVIDIA GPUs. [Test case A - 96x32x32x32] Small problem size. CG solver. Domain Decomposition, Memory bandwidth, strong scaling, MPI latency. [Test case B - 126x64x64x64] Moderate problem size. CG solver on Wilson Dirac stencil. Bandwidth bounded | | <br>[- Source](http://jeffersonlab.github.io/qphix/) <br>[- Bench](https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/qcd/part_2) <br>[- Summary](https://repository.prace-ri.eu/git/UEABS/ueabs/-/blob/r2.2-dev/qcd/part_2/README.md) | lattice Quantum Chromodynamics Part 2 - QPHIX | C++ | yes | yes | no | -- | Part 2: Xeon(Phi) is using a QPhiX kernel which is optimize to run on x86, in particular Intel Xeon (Phi). [Test case A - 96x32x32x32] Small problem size. CG solver involving Wilson Dirac stencil. Domain Decomposition, Memory bandwidth, strong scaling, MPI latency. [Test case B - 126x64x64x64] Moderate problem size. CG solver on Wilson Dirac stencil. Bandwidth bounded | | <br>[- Source](https://repository.prace-ri.eu/ueabs/QCD/1.3/QCD_Source_TestCaseA.tar.gz) <br>[- Bench](https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/qcd/part_cpu) <br>[- Summary](https://repository.prace-ri.eu/git/UEABS/ueabs/-/blob/r2.2-dev/qcd/part_cpu/README.md) | lattice Quantum Chromodynamics - CPU Part - legacy UEABS | C/Fortran | yes | yes/no | No | -- | CPU part based on UEABS QCD CPU part (legacy) benchmark kernels (last update 2017). Based on 5 different Benchmark applications representative for the European Lattice QCD community (see doc for more details). | + + + +# SPECFEM3D <a name="specfem3d"></a> +The software package SPECFEM3D simulates three-dimensional global and regional seismic wave propagation based upon the spectral-element method (SEM). All SPECFEM3D_GLOBE software is written in Fortran90 with full portability in mind, and conforms strictly to the Fortran95 standard. It uses no obsolete or obsolescent features of Fortran77. The package uses parallel programming based upon the Message Passing Interface (MPI). + +- Web site: http://geodynamics.org/cig/software/specfem3d_globe/ +- Code download: http://geodynamics.org/cig/software/specfem3d_globe/ +- Test Case A: https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/specfem3d/test_cases/SPECFEM3D_TestCaseA +- Test Case B: https://repository.prace-ri.eu/git/UEABS/ueabs/-/tree/r2.2-dev/specfem3d/test_cases/SPECFEM3D_TestCaseB +- Test Case C (Validation case) : https://github.com/geodynamics/specfem3d_globe/tree/master/EXAMPLES/small_benchmark_run_to_test_more_complex_Earth +- Run & and build instructions: https://repository.prace-ri.eu/git/UEABS/ueabs/-/blob/r2.2-dev/specfem3d/README.md