Applications

ANSYS

  1. Fixing can’t load screen14 issues for ANSYS 2020-R1
  2. Licensing error while opening ANSYS Fluent Meshing

ANTs

  1. Compiling ANTs with GNU-6.5

ABAQUS

  1. Supported Platforms for ABAQUS
  2. Starting up and Shutting down the ABAQUS License Server
  3. Editing ABAQUS FlexLM License File to control license usage
  4. Using the ABAQUS GUI to upgrade ABAQUS script
  5. Abaqus Required TCP/IP Ports
  6. ABAQUS Command-line Parameters
  7. Topology optimization using TOSCA for ABAQUS in HPC
  8. Issues when launching ABAQUS/CAE

CPMD

  1. Compiling CPMD-3.17.1 with intel-13.0.1.117 and OpenMPI-1.8.3
  2. Compiling CPMD-3.17.1 with Intel-13.0.1.117 and iMPI-14.0.2

DCM2niix

  1. Compiling dcm2niix on CentOS 7

FastX2

  1. “The command gnome-session existed with signal 15” on CentOS 7 for FastX2

FreeSurfer

  1. Setting up FreeSurfer 7.2.0 for CentOS-7

GAMESS

  1. Compiling GAMESS-v2020.2 with Intel MPI
  2. Building the GAMESS with Intel® Compilers, Intel® MKL and OpenMPI on Linux

Gaussian

  1. “Command not found” Errors encountered in Gaussian G16
  2. G16NBO is currently configured with only 100000000 words Errors
  3. Setting up NBO-7 with Gaussian-16a
  4. Linux Binary Gaussian 09 Installation Instructions

Gold Accounting System

  1. Starting Open-Source Gold Accounting System Services

GROMACS

  1. Gromacs-2020.6 and Plumed-2.7.2 with Intel-2019
  2. Compiling Gromacs-2019.3 with Intel 2018 MKL and AVX-512
  3. Compiling Gromacs-2019.3 with Intel MKL and CUDA
  4. Compiling Gromacs-2019.3 with Intel 2018 and MKL
  5. Testing compatibility of Gromacs with CUDA Drivers
  6. Compiling and Installing Gromacs 4.6.2 with OpenMPI and Intel on CentOS 6
  7. Regression Test Errors during Gromacs Compilation
  8. Installing Gromacs 4.0.7 on CentOS 5
  9. Compiling Gromacs 5.0.4 on CentOS 6

g2o

  1. Compiling g2o with Eigen-3.3.9 with GNU-6.5

HDF5

  1. Compiling Parallel HDF5-1.12.0 with OpenMPI and GCC6
  2. Compiling HDF5-1.8.17 with Intel-15.0.6 and Intel-MPI-5.0.6

LAMMPS (RHEL 6/7/8)

  1. Error: Too many elements extracted from the MEAM Library on LAMMPS
  2. No MEAM parameter file in pair coefficients Errors in LAMMPS
  3. voro++.hh: No such file or directory during compilation of lammps with voronoi
  4. Compiling LAMMPS-15Jun20 with GNU 6 and OpenMPI 3
  5. Compile LATTE package for LAMMPS using Intel Compilers
  6. LAMMPS Tools and Packmol with Intel Fortran
  7. Compiling LAMMPS-14May16 with Intel-15.0.6 and Intel-MPI-5.0.3
  8. Compiling LAMMPS-7Dec2015 with OpenMPI and GNU

Leptonica

  1. Compiling Leptonica-1.79 on CentOS 7

LIGGHTS

  1. Compiling LIGGGHTS with OpenMPI

MATLAB

  1. Managing MATLAB Users using MLM options for FlexLM
  2. Increasing JavaMemHeapMax for MATLAB on CentOS
  3. Testing for license checkout for MATLAB_Distrib_Comp_Engine

NWChem

  1. Compiling with NWChem-6.8 with Intel MPI 2018u3
  2. Compiling with NWChem-6.6 with Intel MPI-5.0.3
  3. Installing NWChem 6 with OpenMPI, Intel Compilers and Intel MKL on CentOS 5
  4. Installing NWChem 5 with OpenMPI, Intel Compilers and MKL and CentOS 5.x

Octopus

  1. Basic Configuration of Octopus 4.1.2 with OpenMPI on CentOS 6
  2. Basic Configuration of Octopus 5.0.0 with OpenMPI on CentOS 6

OpenFOAM

  1. Compiling OpenFOAM-7 with Third-Party-7 with Intel MPI on CentOS 7
  2. Compiling OpenFOAM-5.0 with Intel-MPI

Open-Source on CentOS 7

  1. Compiling STAR 2.7 with Intel Compiler 2018 on CentOS 7
  2. Compile gdal-2.4.3 on CentOS 7
  3. Compiling BoltzTraP-1.2.5 with GNU
  4. Compile StringTie on CentOS 7.6
  5. Installing SAMtools on CentOS 7
  6. Compiling tesseract-5.0 on CentOS 7
  7. Installing SPECFEM3d with GNU and OpenMPI
  8. Installing SCons-3.1.2 with Intel Python Distribution
  9. No rule to make target /usr/include/sgidefs.h, needed by `surf.o’
  10. Compiling airss-0.9.1 with GNU
  11. Compiling MPI.jl with Intel MPI
  12. Compiling KALDI with OpenMPI and MKL
  13. Running Parallel Run with Julia-1.5.3
  14. Compiling flac-1.3.3 with GNU 6.5

Open-Source on CentOS 5/6

  1. Compiling adaptive Poisson-Boltzmann Solver (APBS) on CentOS 5
  2. Compiling AMBER 10 with Intel XE Compiler and Intel MKL 10
  3. Installing ALPS 2.0 from source on CentOS 5
  4. Compiling and Installing GAP System for Computational Discrete Algebra
  5. Compiling and Installing Meep-1.2.1 on CentOS 6 and OpenMPI
  6. Installing HTseq for python 26 for CentOS 6
  7. Compiling SQLite 3.8.1 on CentOS 5
  8. Compiling gnuplot 4.6.4 on CentOS 5
  9. Compiling Java 7 on CentOS 5 and 6
  10. Compling ANTLR 2.7.7 on CentOS 6
  11. Compiling GSL/4.1 from GIT on CentOS 5
  12. Installing and Compiling Mankai Common Lisp on CentOS 5
  13. Compiling udunits-2.1.24 on CentOS 6
  14. Installing Berkeley UPC on CentOS 6 and GNU-4.8
  15. Compiling and Installing mfix-2016.1
  16. Compiling FDS-SMV with Intel MPI-5.0.3 on CentOS 6
  17. Compiling NAMD-2.11 with Intel 2013-SP1 and iMPI 4.1.3 and FFTW-2.1.5
  18. Compiling Relion with Intel Compilers-15.0.6 and Intel MPI-5.0.3
  19. Compiling MEEP with Intel-15.0.6, Intel-MPI 5.0.3 and HDFT-1.8.17
  20. Compiling SWIG-3.0.12 on CentOS 6
  21. Installing OpenCV on CentOS 6 on yum
  22. Compiling Wannier90-2.1.0 with Intel-MPI 5.1.3

Other Applications

  1. Installing dokuwiki on CentOS 6
  2. Installing and Configuring GIT on CentOS 5

Quantum Espresso

  1. Compiling Quantum ESPRESSO-6.7.0 with BEEF and Intel MPI 2018 on CentOS 7
  2. Compiling Quantum ESPRESSO-6.5.0 with Intel MPI 2018 on CentOS 7
  3. Compiling Quantum ESPRESSO-2.4.0 with Intel Parallel Studio 2016 on CentOS 6

PLUMED

  1. Compiling plumed-2.6.4 with Intel 2019

R

  1. Compiling R-3.0.2 on CentOS 5
  2. Compiling R-3.4.2 on CentOS 6 with GNU
  3. Installing rgdal_1.4-8.tar.gz with R-3.6.0 on CentOS 7
  4. Installing the Seurat Package on R-3.6.2
  5. Installing DiffBind for R-3.6.2
  6. Installing R-Studio on CentOS-7
  7. Resolving GNU MP not found on CentOS 7

Scalapack

  1. Compiling Scalapack-2.0.2 on CentOS 7

VASP

  1. Compiling VASP-5.4.4 with Intel MPI-5.0.3
  2. Compiling VASP-5.2.12 with Intel MPI-5.0.3
  3. Compiling VTST Tools with VASP-5.3.5
  4. Compiling VASP 5.3.3 with OpenMPI 1.6.5 and Intel 12.1.5

VMD

  1. Installing VMD-1.9.3 binaries on Linux

X-Windows

  1. Installing Grace (xmgrace) on CentOS 5 and 6