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Dear Brad,
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<div>first of all thanks a lot for the report.</div>
<div>Unfortunately, is is not easy to understand where the problem lies with the information that you provide.</div>
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<div>The warning messages should not be harmful (they just mean that some arrays needed to be copied in a temporary location because the array passed to the caller was not contiguous; this can result in a performance loss, but should not generate any problem).</div>
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<div>Can you identify more specifically where the code crashes, e.g. by looking at the last line printed by the code, or using a debugger as gdb after compiling with the the -g option and then watching at which point of the code the crash occurs? In particular,
it would be useful to know if the bug really happens inside the dos subroutines (or even in which of the called subroutines), or outside of them. </div>
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<div>Moreover, could you also provide the input file, if possible, to understand which part of the code is used and could trigger the problem?</div>
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<div>Best,</div>
<div>Giovanni</div>
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<div>-- </div>
<div>Giovanni Pizzi<br>
Post-doctoral Research Scientist<br>
EPFL STI IMX THEOS<br>
MXC 340 (Bātiment MXC)<br>
Station 12<br>
CH-1015 Lausanne (Switzerland)<br>
Phone: +41 21 69 31124<br>
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<div>On 30 May 2014, at 23:00, Brad Barker wrote:</div>
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<div style="">Hello Wannier Mailing Group,</div>
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<div style="">I am a new user of Wannier90. I have compiled Wannier90-2.0.0 on the NERSC machine Edison, which uses an Intel compiler.</div>
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<div style="">The below happens when I run postw90 to calculate Projected DOS calculations on a subset of Wannier functions.</div>
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<div style="">Using the default optimization flag in the make.sys file</div>
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<div style="">FCOPTS=-O2</div>
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<div style="">LDOPTS=-O2</div>
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<div style="">postw90 produces the error message </div>
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<div style="">forrtl: severe (174): SIGSEGV, segmentation fault occurred </div>
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<div style="">and the execution is terminated.</div>
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<div style="">Modifying the make.sys file to include more debugging flags</div>
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<div style="">FCOPTS=-O2 -g -traceback -check all -fp-stack-check</div>
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<div style="">LDOPTS=-O2 -g -traceback -check all -fp-stack-check</div>
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<div style="">produces the messages</div>
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<div style="">forrtl: warning (402): fort: (1): In call to KMESH_GET_BVECTORS, an array temporary was created for argument #4</div>
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<div style="">forrtl: warning (402): fort: (1): In call to I/O Write routine, an array temporary was created for argument #2</div>
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<div style="">for each processor, and now postw90 executes successfully.</div>
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<div style="">I am unsure if the developers and the community are aware of this problem or possible bug fixes in postw90/dos.F90.</div>
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<div style="">Thank you,</div>
<div style="">Bradford Barker</div>
<div style="">University of California, Berkeley</div>
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