Hi, QE developers and users,
I am trying to compile 6.2 version QE under Windows with MPICH2 parallel. After
successfully compiling, I noticed the software took place error at very
beginning as following:
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 0 0 0 0 0 0
Max 1 1 1 1 1 1
Sum 1 1 1 1 1 1
Since the same problem was seen in previous version (5.4.0), so I tried to
modify the code in file FFTXLib/stick_base.f90. However, it was noticed that
the source code of stick_base.f90 was changed a lot. Using the similar method
as done for v5.4.0, the same error remained.
More detailed. In v5.4.0, a simple modification in subroutine stick_maps can
solve the trouble, but in v6.2, there is no stick_maps which was replaced by
stick_map_allocation, stick_map_set, stick_map_index and stick_map_deallocate.
Simply changing the similar part in stick_map_set does not lead to right
parallization information. By adding more break points, it was found the array
size of st was defined by lb(2) and ub(2). But, four elements in the two arrays
all equaled to ZERO.
Because stick_map_set was called by get_sticks, lb(2) and ub(2), corresponding
to smap%lb(2) and smap%ub(2), were checked at beginning of the subroutine.
Unfortunately, they also equaled to ZERO. The following tracing was suspended
owing to no idea which subroutine calls get_sticks.
It is also noticed that this problem can be only occurred while compiling QE
with GCC and official MPICH2 (1.4.1p1, in win64 msi) through MinGW platform
(including MinGW, MinGW-w64, Msys2, etc).
Could any people suggest me how to avoid / solve this probem?
Thank you very much in advance,
Best Regards,
--
GAO Zhe, Dr.,
Senior Research Engineer,
Gypsum Activity R&D - Asia,
Saint-Gobain Research Shanghai Co., Ltd.,
No. 55, Wenjing-road, Minhang-district, Shanghai, China,
Tel: +86-21-5475-7251
_______________________________________________
Pw_forum mailing list
Pw_forum@pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum
