I'm trying to do simulation with polarizable force field. But even
minimization hasn't been completed. My input script and error message are
as follow.
[ input script ]
Minimization
&cntrl
imin = 1, maxcyc = 10000,
ntpr = 100, ntwx = 100,
ntb = 1,
ipol = 1,
/
&ewald
indmeth = 1,
/
[ Error Message ]
sander -O -i min.in -o min.log -c *.inpcrd -p *.prmtop -r min.rst -x min.trr
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.
Backtrace for this error:
#0 0x7f8a61bb431a
#1 0x7f8a61bb3503
#2 0x7f8a61230f1f
#3 0x563f0999daa6
#4 0x563f0999ff26
#5 0x563f099fa5eb
#6 0x563f099fa871
#7 0x563f09b725a1
#8 0x563f09934895
#9 0x563f09921018
#10 0x563f09918903
#11 0x563f09918967
#12 0x7f8a61213b96
#13 0x563f098a9749
#14 0xffffffffffffffff
Segmentation fault (core dumped)
In addition, I set the indmeth = 1, but log file prints indmeth = 3.
If someone knows how to solve this problem, please give me any advice.
Thank you.
--
*Junbeom Cho*
Integrated Ph. D. Student
Theoretical and Computational Soft Matters Laboratory
School of Chemical and Biological Engineering
Seoul National University
1, Gwanak-ro, Gwanak-gu, Seoul, 08826, Korea
Tel: +82-2-880-1529
E-mail: cjb0704.snu.ac.kr
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Received on Mon Sep 16 2019 - 01:30:02 PDT
