diff --git a/karolina.csv b/karolina.csv index 68d10870f7a6f5ceaad858b4f045075dea51f945..2d499a5bb5cd1d1a3654aa2ba535428225050bb6 100644 --- a/karolina.csv +++ b/karolina.csv @@ -415,6 +415,7 @@ Molpro/mpp-2021.1.0.linux_x86_64_openmp,1 Mono/6.12.0.122,1 MPC/1.2.1-GCCcore-10.2.0,1 MPFR/4.1.0-GCCcore-10.2.0,1 +mpi4py/3.1.1-intel-2020b,1 MPICH/3.3.2-GCC-10.2.0,1 NASM/2.13.03,1 NASM/2.15.05,1 diff --git a/karolina.md b/karolina.md index 636f8b2d5e758256e637c2fe40ff3112241bf434..5a5e99ca87219433f07b4980dc7fd2ace1cc973a 100644 --- a/karolina.md +++ b/karolina.md @@ -268,6 +268,12 @@ | TB2J | Old module, description not available. | | [VASP](http://www.vasp.at) | The Vienna Ab initio Simulation Package (VASP) is a local_computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. To use VASP, You need academic licenses from University of Wiena. Follow the instructions https://www.vasp.at/index.php/faqs. Then send us please a list of authorized users and their ID for which you need this access. Please use only http://support.it4i.cz/rt. We are responsible to verify your licenses. After succesfull verification You will be granted to use VASP in our enviroment. | +## Python + +| Module | Description | +| ------ | ----------- | +| [mpi4py](http://mpi4py.scipy.org/docs) | MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors. | + ## System | Module | Description |