Qbox List

Posted: **Fri Jul 01, 2022 6:32 pm**

The 1.74.2 version of Qbox for CPU has been compiled for the NERSC Perlmutter platform and is available at

/global/cfs/projectdirs/qbox/bin/qbox-1.74.2_prl

A job script that uses this version is provided in

Code: Select all

/global/cfs/projectdirs/qbox/qbox_prl_cpu.job

Note that this executable uses the Xerces-C library provided in

Code: Select all

/global/cfs/projectdirs/qbox/xerces/xerces-c-3.1.4_cray

Posted: **Sun Mar 03, 2024 1:02 am**

The 1.76.3 version of Qbox for CPU has been compiled for the NERSC Perlmutter platform and is available at

Code: Select all

/global/cfs/projectdirs/qbox/bin/qbox-1.76.3_prl

This version includes improvements in the charge mixing algorithm. See the full list of changes in src/notes.
A job script that uses this version is provided in

Code: Select all

/global/cfs/projectdirs/qbox/qbox_prl_cpu.job

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Qbox on NERSC Perlmutter CPU

Qbox on NERSC Perlmutter CPU

Re: Qbox on NERSC Perlmutter CPU