Category Archives: How to Send

Espresso

General information opEn-SourceP ackage for Research in Electronic Structure, Simulation, and Optimization ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft). The 6.1 version … Continue reading

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send_espresso

send_espresso To launch espresso calculations to the queue system the send_espresso script is available. Executing it, send_espresso [Enter], the syntax of the command is shown: send_espresso input Executable Nodes Procs_per_node Time Mem [“Otherqueue options” ] Input Name of the espresso input file without … Continue reading

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