mirror of https://gitlab.com/QEF/q-e.git
26 lines
1.0 KiB
Plaintext
26 lines
1.0 KiB
Plaintext
Example Programs for the Library Interface to Quantum ESPRESSO
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The programs in this directory demonstrate how the library
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interface can be used. The following examples are provided.
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To compile first do "make couple" on the top level and then
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compile with either make -f Makefile.gfortran or
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make -f Makefile.ifort depending whether you used gcc/gfortran
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or icc/ifort to compile Quantume ESPRESSO.
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c2pw.x and f2pw.x
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=================
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These programs mimick the pw.x executable and provide the
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same command line flags with the additional flag -nreserve
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(or -nres, or -nr) which "reserves" the requested number of
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processors and thus is an example for how some other subroutines
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can be run alongside pw.x using the same MPI infrastructure.
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The c2pw.x program is written in C++, f2pw.x in Fortran and
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they show how to pass along the necessary flags and input
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to the library with either C or Fortran bindings.
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c2cp.x and f2cp.x
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=================
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These programs mimick the cp.x executable in the same way
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as c2pw.x and f2pw.x follow the pw.x code.
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