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installation_guide [2024/12/19 11:07] – configure fixes mayinstallation_guide [2025/01/15 16:35] (current) – no more sockets may
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 5) Now go to "Download" on your account page. It may take a few seconds, until the page is displayed. 5) Now go to "Download" on your account page. It may take a few seconds, until the page is displayed.
 Download the version for your operating system (Linux or Mac, but not Windows).\\  Download the version for your operating system (Linux or Mac, but not Windows).\\ 
-6) Uncompress the file molpro-mpptype-arch.sh.gz (it might be called e.g. molpro-mpp-2021.2.1.linux_x86_64_sockets.sh.gz )\\ +6) Uncompress the file molpro-mpptype-arch.sh.gz (it might be called e.g. molpro-mpp-2021.2.1.linux_x86_64_mpipr.sh.gz )\\ 
 **gunzip molpro-mpptype-arch.sh.gz**\\  **gunzip molpro-mpptype-arch.sh.gz**\\ 
 7) Run the file as root:\\  7) Run the file as root:\\ 
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 ==== Tuning ==== ==== Tuning ====
  
-Molpro can be tuned for a particular system by running in the root directory the command +Molpro can be tuned for a particular system by running the Molpro input file ''%%tuning.inp%%''This job automatically determines a number of tuning parameters and appends these to the file ''%%lib/tuning.rc%%''. Using these parameters, Molpro will select the best BLAS routines depending on the problem size. This job should run on system where Molpro would normally be run, eg. a compute node, specifying options such as number of processes and scratch disk that best represent the intended final use of Molpro. It may typically take 10 minutes, depending on the processor speed, and you should wait for completion of this run before doing the next steps.
- +
-''%%make tuning%%'' +
- +
-This job automatically determines a number of tuning parameters and appends these to the file ''%%bin/molpro%%''. Using these parameters, Molpro will select the best BLAS routines depending on the problem size. This job should run on an empty system. It may typically take 10 minutes, depending on the processor speed, and you should wait for completion of this run before doing the next steps.+
  
 **Adjusting the default environment for Molpro** **Adjusting the default environment for Molpro**