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<div class="">Dear Debashrito Deb and QE friends,</div>
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<div class="">MPI is used to run calculations in parallel on multiple cores/threads/processors or whatsoever. Probably it is only on cores/processors, I’m not sure.</div>
<div class="">MPI is usually used in computer clusters and the like. Probably not something you have easy access to.</div>
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<div class="">MPI and NEB are already pretty advanced to start working with QE and QM/MM calculations.</div>
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<div class="">I recommend to start with less advanced calculations and computational setups and gradually go to more advanced calculations.</div>
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<blockquote type="cite" class="">
<div class="">On 7 May 2020, at 12:24, Debashrito Deb <<a href="mailto:debashrito17537@gcu.ac.in" class="">debashrito17537@gcu.ac.in</a>> wrote:</div>
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<div class="">Dear experts,</div>
<div class="">I am pretty naive to Quantum Espresso and QM/MM calculations. I have installed the package and I am using Cygwin as the running platform. I wanted to try the NEB calculations and decided to run the example file. </div>
<div class=""><b class="">But once I was running it I got an error saying, MPI command not found. </b></div>
<div class="">Can you please guide me where I am going wrong.</div>
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<div class="">Sincerely,</div>
<div class="">Deb</div>
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