Some additional comments:
There is "WIEN2k_16.1" in your snapshot. What Fortran compiler did you
use to build WIEN2k. If you used an ifort 2016, 2017, or 2018 version,
it is known that there can potentially be file I/O issues when WIEN2k is
compiled with them [
https://www.mail-archive.com/[email protected]/msg16802.html
]. There are code fixes for the 2016/2017/2018 compilers and other bugs
that existed in the 16.1 version. To get these codes fixes, you need to
use WIEN2k 17.1 and apply the fixes given in the mailing list archive [
https://www.mail-archive.com/[email protected]/msg17267.html
].
The snapshot looks like it is just your case.dayfile (cat *.dayfile).
In the case directory for your parallel calculation, is there any
additional more detailed error messages(s) in ...
error files:
cat *.error
dot files files like .time* and .stdout* [
https://www.mail-archive.com/[email protected]/msg13598.html
]:
cat .time*
cat .stdout*
standard output and error:
a) If you used run_lapw directly in the terminal, this is the output
displayed in the terminal window.
or
b) If you used a job script, this is the standard output (-o), standard
error (-e), or a combined output/error (-j) file that you specified in
your job submission or job script [
https://wikis.nyu.edu/display/NYUHPC/Copy+of+Tutorial+-+Submitting+a+job+using+qsub
].
For example, if you called the output and error files:
std.log
error.log
Then, also check to see if they contain any other error messages:
cat *.log
As Lyudmila hinted at, since your calculation fails in the lapw2 step of
cycle 1, the crash could also be caused by another problem first
occurring in one of the previous steps of your calculation:
init_lapw <- Could be caused by a problem in input files like the struct
file or .inX. In particular, you may want to check case.in2(c) since it
is crashing in lapw2. Check the contents of the output files that are
listed in "Table 4.1: Input and output files of init programs" on page
35 of the WIEN2k 17.1 usersguide [
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ].
lapw0
lapw1 <- For lapw0 and lapw1, also check the contents of the output
files that are listed in "Table 4.3: Input and output files of main
programs in an SCF cycle" on page 36 in the usersguide (such as for
errors, warnings, and strange output (NaN, stars ***).
Hope that helps and good luck.
On 4/24/2018 2:17 PM, Lyudmila Dobysheva wrote:
24 Apr 2018, 13:04 +04:00 from Ashwani Kumar <[email protected]>:
Please help me to understand what could be the reason for lapw crash.
Nobody can help you as you have not sent information: struct file, input files
.inX, dayfile, error files...
snapshot is attached with this mail.
Better send such information as text, not picture.
Best wishes,
Lyudmila Dobysheva
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/[email protected]/index.html
