NWChem Installation manual for Windows

Step 1. Installation of NWChem

・If you are using Winmostar V11.5.0 or later and a 64-bit environment, please install CygwinWM 2023/04/23 version or later.

　※　The recommended version of 64-bit NWChem is preinstalled on CygwinWM 2023/04/23 or later versions.
　※　If you want to run NWChem with MPI parallel, It is necessary to do "Step 2. Installation of MPICH."

・If none of the above applies, or if you wish to use a version of NWChem other than the recommended version, please download and run the compiled NWChem self-extracting archive from the link below.

nwchem-6.6_32bit_20170124.exe(28MB)

　After execution, click the [Tools]-[Preferences] menu of Winmostar and select the installed nwchem.exe under [Program Path]-[NWChem].

When you install it into a folder other than C:\nwchem, please specify the path installed with the [Tools]-[Preference] menu of Winmostar.

　※　If you want to run NWChem with MPI parallel, It is necessary to do "Step 2. Installation of MPICH."
　※　If downloading or execution does not work, please try another browser.

Step 2: Installation of MPICH

・Install the 64-bit version of MPICH by following the instructions in Section 3 of the LAMMPS Installation Manual for Windows.

　※　If you are using a 32-bit environment, please install the 32-bit version of MPICH.