In conjunction with making Siesta easier to install (and the future PSML incorporation) I have made some scripts which should ease this.
I here attach the scripts which I have tested (only a few times), any feedback is very welcome. They should more or less be self-contained. :) @Nicolas please read the manual, if you have specific questions, let us know. Den tir. 23. jun. 2020 kl. 22.01 skrev FOURCHES Nicolas < nicolas.fourc...@cea.fr>: > Hello, > > > > Has anyone have a users’ guide for the installation of siesta latest > version for full parallel computing ? Where can I find this info ? > > > > Regards > > > > Nicolas Fourches > > > > > > > > *From:* siesta-l-requ...@uam.es <siesta-l-requ...@uam.es> *On Behalf Of *Yuvam > Bhateja > *Sent:* vendredi 19 juin 2020 10:49 > *To:* siesta-l@uam.es > *Subject:* [SIESTA-L] [SIESTA-user] Problem while installing psml > compatible SIESTA > > > > Hey, > > I was installing siesta-psml but getting error and I am not understanding > where I am doing wrong. I am using libraries from esl-bundle. > > I want an accelerated and accurate siesta program which I think psml will > do, though I am not really sure. > > I am attaching the screenshot of the error and my arch.make file. > > Please let me know how can I fix it and can I accelerate my SIESTA > calculations in any other way. > > Thanks in advance > > > > Regards > > Yuvam Bhateja > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
install_psml.bash
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install_gridxc.bash
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-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
