[QE-users] Properly linking Environ3.0 module to QE v7.0
Tucker Allen
tuckerallen620 at icloud.com
Mon Aug 26 20:49:27 CEST 2024
Hello,
I have successfully compiled and ran quantum espresso v6.4 pw.x executable. I thought I successfully linked the Environ module within the QE directory but get the following error message when reading my *.in during a pw.x run:
Warning: card &ENVIRON ignored Warning: card ENVIRON_TYPE = 'WATER', ignored Warning: card ENVIRON_THR = 1.0D-6 ignored Warning: card EPSLON = 78.3, ignored Warning: card DO_WANNIER = .FALSE., ignored Warning: card SET_CHARGE = 0.0, ignored Warning: card / ignored
So the calculation proceeds without reading the &environ variables. Can someone explain how to successfully compile Environ in tandem with the QE main pw.x executable? I have tried both QE v6.4 and v7.0. With Environ3.0 with no success.
Any advice would be greatly appreciated!
Best, Tucker Allen
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