diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/exciting/dfgather.patch')
| -rw-r--r-- | var/spack/repos/builtin/packages/exciting/dfgather.patch | 27 |
1 files changed, 27 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/exciting/dfgather.patch b/var/spack/repos/builtin/packages/exciting/dfgather.patch new file mode 100644 index 0000000000..1c0a847b61 --- /dev/null +++ b/var/spack/repos/builtin/packages/exciting/dfgather.patch @@ -0,0 +1,27 @@ +--- dfgather.F90_old 2020-09-16 17:19:18.000000000 -0600 ++++ dfgather.F90 2020-09-16 17:19:21.000000000 -0600 +@@ -27,6 +27,11 @@ + ! loop over q-points + Do iq = 1, nqpt + tq0 = tqgamma (iq) ++ ++ call genfilname(basename='X0', bzsampl=bzsampl,& ++ & acont=input%xs%tddft%acont, nar= .not. input%xs%tddft%aresdf,& ++ & tord=input%xs%tddft%torddf, markfxcbse=tfxcbse, iqmt=iq, filnam=fnchi0) ++ + ! calculate k+q and G+k+q related variables + Call init1offs (qvkloff(1, iq)) + ! size of local field effects +@@ -54,6 +59,12 @@ + call mpi_bcast(chi0hd,3*3,MPI_DOUBLE_COMPLEX,iproc,mpi_comm_world,ierr) + #endif + if(rank.eq.0.or.(firstinnode.and. .not.input%sharedfs))then ++ if (iw == wpari) then ++ print *, 'procs=', procs ++ print *, 'rank=', rank ++ print *, 'iq=', iq, '/', nqpt ++ print *, 'fnchi0=',trim(fnchi0) ++ end if + Call putx0 (tq0, iq, iw, trim(fnchi0), '', chi0, chi0wg, & + & chi0hd) + endif |