Dear developers,<br><br> I understand, that CVS version is under development and might not work, but in that version a bug in Berry Phase calculation is fixed, so I prefer to use CVS version instead official one.<br><br>I have noticed that pwscf crashes in parallel (compiled by ifort
9.1, mvapich) , when more than 2 cores is used. Test example is an '<a href="http://atom.in">atom.in</a>' file provided in ' tests/' . The error message is:<br>.....<br> Initial potential from superposition of free atoms
<br><br> starting charge 6.00000, renormalised to 6.00000<br><br> negative rho (up, down): 0.101E-04 0.000E+00<br> Starting wfc are 4 atomic + 2 random wfc<br>mpirun_rsh: Abort signaled from [1]<br>
<br>Checking atom...1 - MPI_REQUEST_FREE : Invalid mpi_request handle<br>[1] [] Aborting Program!<br>done.<br><br>Does anybody notice the same problems?<br><br> Best wishes,<br> <br>-- <br>=====================================
<br>Jess Kondor,<br>PhD Student<br><br>PICYT, Av. Venustiano Carranza 2425-A, <br>San Luis Potosí 78210, México<br>=====================================