Fortran error from xmltools.f90

[harishpvv]

Sir, I installed d3q.x, and when I tried to run it is showing the following error. For installing, I did 'make d3q' in the root qe(v 6.7) folder.

Error termination. Backtrace:
At line 965 of file xmltools.f90
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE

can you please check this.
Thanks.

Harish

[paulatz]

Yes, there is a little bug in the restart mechanism. You can work around it by starting each triple separately (by using first= and last= input variables), which is what I always do to compute them simultaneously. Or you can replace d3matrix_io2.f90 with this one https://raw.githubusercontent.com/anharmonic/d3q/main/src/d3matrix_io2.f90 ***@***.***/0?redirect=https%3A%2F%2Fraw.githubusercontent.com%2Fanharmonic%2Fd3q%2Fmain%2Fsrc%2Fd3matrix_io2.f90&recipient=cmVwbHkrQUFKVlBKRUdaVTQ0TlJCUlhSMk5SQk42TDU0M1pFVkJNWEhBQU1RTjI0QHJlcGx5LmdpdGh1Yi5jb20%3D) and recompile. sorry for the inconvenience -- Lorenzo Paulatto - Paris

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On Mar 18 2021, at 7:15 pm, harishpvv ***@***.***> wrote: Sir, I installed d3q.x, and when I tried to run it is showing the following error. For installing, I did 'make d3q' in the root qe(v 6.7) folder. Error termination. Backtrace: At line 965 of file xmltools.f90 Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE can you please check this. Thanks. Harish — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub ***@***.***/1?redirect=https%3A%2F%2Fgithub.com%2Fanharmonic%2Fd3q%2Fdiscussions%2F1&recipient=cmVwbHkrQUFKVlBKRUdaVTQ0TlJCUlhSMk5SQk42TDU0M1pFVkJNWEhBQU1RTjI0QHJlcGx5LmdpdGh1Yi5jb20%3D), or unsubscribe ***@***.***/2?redirect=https%3A%2F%2Fgithub.com%2Fnotifications%2Funsubscribe-auth%2FAAJVPJGYR64HDTOJ3ATVTYLTEI7LZANCNFSM4ZNEJS7Q&recipient=cmVwbHkrQUFKVlBKRUdaVTQ0TlJCUlhSMk5SQk42TDU0M1pFVkJNWEhBQU1RTjI0QHJlcGx5LmdpdGh1Yi5jb20%3D).