xdm Fortran runtime error: Attempt to DEALLOCATE unallocated 'grad_psic'
Hello,
with up-to-date Q.E., I am getting this error with spin-orbit and xdm, see below.
Looking how to fix it in the code, please give some hints :
iteration # 1 ecut= 40.00 Ry beta= 0.40
Davidson diagonalization with overlap
---- Real-time Memory Report at c_bands before calling an iterative solver
292 MiB given to the printing process from OS
436 MiB allocation reported by mallinfo(arena+hblkhd)
12875 MiB available memory on the node where the printing process lives
------------------
ethr = 1.00E-02, avg # of iterations = 1.0
At line 637 of file /home/milias/work/software/qe/q-e/PW/src/sum_band.f90
Fortran runtime error: Attempt to DEALLOCATE unallocated 'grad_psic'
.
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Working files are attached : Pb2.scfso_xdm.in Pb2.scfso_xdm.logfile_ERRPb_r.upf