<div dir="ltr"><div><div><div><div><div><div><div><div>Dear all,<br></div> I'm facing problems when running pw2wannier.x. It always shows the following error regardless of a serial or parallel run :<br><br>
/espresso-5.0.1/bin/pw2wannier90.x < Si.pw2wan > Si.pw2wan.out<br>Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(1478): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, MPI_COMM_WORLD) failed<br>
PMPI_Bcast(1453): Null buffer pointer<br><br><br></div>For installation I followed the following instructions in <br><a href="http://www.wannier.org/pwscf.html">http://www.wannier.org/pwscf.html</a> <br><br>"<h2>v5.0 and later</h2>
You need one file: <strong>pw2wannier90.f90</strong>, which should be copied to the "PP/src"
directory of the QE distribution, replacing the file
of the same name that is already there.
"<br><br></div>Then compiled using <br>make all<br><br></div> Please help.<br></div>Thanks,<br></div>Rajdeep Banerjee<br></div>JNCASR<br></div>Bangalore, India<br></div>