Qbox on NERSC Perlmutter CPU

Qbox installation issues
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fgygi
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Posts: 167
Joined: Tue Jun 17, 2008 7:03 pm

Qbox on NERSC Perlmutter CPU

Post by fgygi »

The 1.74.2 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-1.74.2_prl
A job script that uses this version is provided in

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/global/cfs/projectdirs/qbox/qbox_prl_cpu.job
Note that this executable uses the Xerces-C library provided in

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/global/cfs/projectdirs/qbox/xerces/xerces-c-3.1.4_cray
fgygi
Site Admin
Posts: 167
Joined: Tue Jun 17, 2008 7:03 pm

Re: Qbox on NERSC Perlmutter CPU

Post by fgygi »

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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