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Both sides previous revision Previous revision Next revision | Previous revision | ||
installation_guide [2024/12/19 11:07] – configure fixes may | installation_guide [2025/01/15 16:35] (current) – no more sockets may | ||
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5) Now go to " | 5) Now go to " | ||
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 | + | Molpro can be tuned for a particular system by running the Molpro input file '' |
- | + | ||
- | '' | + | |
- | + | ||
- | This job automatically determines a number of tuning parameters and appends these to the file '' | + | |
**Adjusting the default environment for Molpro** | **Adjusting the default environment for Molpro** |