Mirfath,
this sounds strange: If you successfully compiled and tested Amber22 on
your machine, it should run there without such an error.
Your error might indicate, however, that the machine you compiled and
tested Amber22 on and the machine you intend to actually execute it, are
not the same or do not have share the same software environment.
Maybe you have to adjust the LD_LIBRARY_PATH (cf. the amber.sh script)
to include the additional directories, but Amber installation experts
might chime in here for more help.
> This is an urgent request please; after downloading and installing amber22, I'm unable to run it due to the error </usr/local/amber22/bin/pmemd.cuda: error while loading shared libraries: libnetcdf.so.7: cannot open shared object file: No such file or directory>. Even after adding the /lib64 which contains libnetcdf.so.7 to the prepend-path in the amber22 module file, amber22 is not running, and giving the same error. Amber18 is running smoothly, but in order to use the Bussi thermostat I want to upgrade, and the latest version available on your website is amber22.
Best,
Anselm
Bioinformatik | NHR.FAU
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
Germany
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Received on Mon Oct 30 2023 - 01:00:02 PDT
