Re: [Pw_forum] Invalid memory reference with GIPAW and USPPs

2016-06-21 Thread Sean A. Fischer, Contractor
init_igk was indeed missing from PW/src/read_file.f90 After applying the patch you supplied, all calculations are now working. Thank you for your help. Best, Sean --- Sean A. Fischer, PhD Contractor, Code 6189 Theoretical Chemistry Section Naval Research Laboratory Office: (202) 404-0582 > On

Re: [Pw_forum] Invalid memory reference with GIPAW and USPPs

2016-06-21 Thread Paolo Giannozzi
It works with the development version of QE. Try this: $ grep init_igk PW/src/read_file.f90 If nothing is found, try to apply the attached patch Paolo On Mon, Jun 20, 2016 at 9:19 PM, Sean A. Fischer, Contractor wrote: > That is the code around line 68 in

Re: [Pw_forum] Invalid memory reference with GIPAW and USPPs

2016-06-20 Thread Sean A. Fischer, Contractor
That is the code around line 68 in PW/src/gen_us_dj.f90 From my run, iig had a value of 1110073208 for ig and ik equal to 1. So it appears igk_k may not be getting properly initialized. --- Sean A. Fischer, PhD Contractor, Code 6189 Theoretical Chemistry Section Naval Research Laboratory Office:

Re: [Pw_forum] Invalid memory reference with GIPAW and USPPs

2016-06-20 Thread Paolo Giannozzi
Uhm ... Does PW/src/gen_us_dj.f90 around line 68 look like this? do ig = 1, npw iig = igk_k(ig,ik) gk (1,ig) = xk (1, ik) + g(1, iig) If so, print the value of "iig". Does it look suspicious? Paolo On Mon, Jun 20, 2016 at 7:25 PM, Sean A. Fischer, Contractor