[AMBER] amber22 not running

From: Mirfath Sultana Mesbahuddin via AMBER <amber.ambermd.org>
Date: Fri, 27 Oct 2023 18:14:16 +0000

Hello Sir/Madam,
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.

Also, I understand that the "nmropt > 1" function is currently not available in amber22; can you please let me know how soon will this function be implemented in amber22?

Looking forward to hearing from you soon
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Received on Fri Oct 27 2023 - 11:30:02 PDT
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