<div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><div>Hi, QE developers and users,</div><div><br></div><div>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:</div><div><div><span style="color: rgb(0, 0, 255);"><i> Parallelization info</i></span></div><div><span style="color: rgb(0, 0, 255);"><i> --------------------</i></span></div><div><span style="color: rgb(0, 0, 255);"><i> sticks: dense smooth PW G-vecs: dense smooth PW</i></span></div><div><span style="color: rgb(0, 0, 255);"><i> Min 0 0 0 0 0 0</i></span></div><div><span style="color: rgb(0, 0, 255);"><i> Max 1 1 1 1 1 1</i></span></div><div><span style="color: rgb(0, 0, 255);"><i> Sum 1 1 1 1 1 1</i></span></div></div><div>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.</div><blockquote style="margin: 0 0 0 40px; border: none; padding: 0px;"><div>More detailed. In v5.4.0, a simple modification in subroutine <span style="color: rgb(0, 128, 0);">stick_maps</span> can solve the trouble, but in v6.2, there is no stick_maps which was replaced by <span style="color: rgb(0, 128, 0);">stick_map_allocation</span>, <span style="color: rgb(0, 128, 0);">stick_map_set</span>, <span style="color: rgb(0, 128, 0);">stick_map_index</span> and <span style="color: rgb(0, 128, 0);">stick_map_deallocate</span>. Simply changing the similar part in <span style="color: rgb(0, 128, 0);">stick_map_set</span> does not lead to right parallization information. By adding more break points, it was found the array size of <span style="color: rgb(0, 128, 0);">st </span>was defined by<span style="color: rgb(0, 128, 0);"> lb(2)</span> and <span style="color: rgb(0, 128, 0);">ub(2)</span>. But, four elements in the two arrays all equaled to <span style="color: rgb(255, 0, 0);">ZERO</span>.</div><div>Because <span style="color: rgb(0, 128, 0);">stick_map_set</span> was called by <span style="color: rgb(0, 128, 0);">get_sticks</span>,<span style="color: rgb(0, 128, 0);"> lb(2)</span> and <span style="color: rgb(0, 128, 0);">ub(2)</span>, corresponding to <span style="color: rgb(0, 128, 0);">smap%lb(2)</span> and<span style="color: rgb(0, 128, 0);"> smap%ub(2)</span>, were checked at beginning of the subroutine. Unfortunately, they also equaled to <span style="color: rgb(255, 0, 0);">ZERO</span>. The following tracing was suspended owing to no idea which subroutine calls <span style="color: rgb(0, 128, 0);">get_sticks</span>.</div><div>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).</div></blockquote><div>Could any people suggest me how to avoid / solve this probem?</div><div>Thank you very much in advance,</div><div>Best Regards,</div><div><br></div><div style="position:relative;zoom:1">--<br>GAO Zhe, Dr.,
<div>Senior Research Engineer, <br>Gypsum Activity R&D - Asia,</div>
<div>Saint-Gobain Research Shanghai Co., Ltd.,<br></div>
<div>No. 55, Wenjing-road, Minhang-district, Shanghai, China,<br>Tel: +86-21-5475-7251<br></div><div style="clear:both"></div></div></div><br><br><span title="neteasefooter"><p> </p></span>