makeparam VASP 5

Questions regarding compilation of VASP on various platforms.

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makeparam VASP 5

Postby Neutrino » Thu Mar 05, 2015 4:51 am

I compiled a series version of VASP 5 and after a succesful compilation, I typed make makeparam and obtained a binary called makeparam. But when I use the makeparam binary to estimate the memory, it runs as VASP serial version (i.e. the electronic relaxation starts ) rather than a makeparam utility. I tried to diff vasp and makeparam and they are different. Is this utility still supported in VASP 5?
Neutrino
 

Re: makeparam VASP 5

Postby alex » Thu Mar 05, 2015 4:55 pm

I think this is a very, very outdated utility from times, where no dynamic memory was accessible (FORTRAN77).

Hth, alex
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Re: makeparam VASP 5

Postby Neutrino » Mon Mar 09, 2015 1:32 am

Thank you for your reply , Alex. But makeparam was useful to estimate the memory before submitting the job to the compute nodes. I used to suffer from compute node crashes when I inadvertently submit a job requiring memory more than the RAM of the node (or actually more than 80%) . I wonder if there is then an alternative way to estimate the RAM memory needed for the job before submitting it. This would still be very valuable.
Neutrino
 


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