Segmentation fault linked to pair_polymorphic

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1

Hi everybody,

I want to report an error with the polymorphic style in lammps (version 16. Feb. 2016).
Everytime i used the pair_style polymorphic a Segmentation fault appears (see end of the mail, for an example setup, but it occured with all used systems (same potential file, other configurations/systems)).

I checked my input file with old version of lammp(10Aug2015), and my lammps version with input files
without polymorphic potential. They worked all.
I can fix it by using the old pair_polymorphic.cpp/.h files in the new lammps version.
So i think/hope its not a fault on my inputfiles/system, (also recompiled my old lammpsversion (10Aug2015), to check if its not a problem of my libs).

I haven’t found that files in the changed files since 16.Feb.2016, so i wanted to report that issue.

Greetings,
Michael

Error message:

Replicating atoms …
triclinic box = (0 0 0) to (19.96 17.284 17.061) with tilt (-9.98 0 0)
1 by 1 by 1 MPI processor grid
192 atoms
[pccp7:07182] *** Process received signal ***
[pccp7:07182] Signal: Segmentation fault (11)
[pccp7:07182] Signal code: Address not mapped (1)
[pccp7:07182] Failing at address: (nil)
[pccp7:07182] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x10340) [0x7fefc8897340]
[pccp7:07182] [ 1] /lib/libc.so.6(+0x3d517) [0x7fefc4dd4517]
[pccp7:07182] [ 2] /home/micha/progs/lammps-16Feb16/src/lmp_ubuntu.1(_ZN9LAMMPS_NS15PairPolymorphic9read_fileEPc+0x2d8) [0x13f74c8]
[pccp7:07182] [ 3] /home/micha/progs/lammps-16Feb16/src/lmp_ubuntu.1(_ZN9LAMMPS_NS15PairPolymorphic5coeffEiPPc+0x22b) [0x13fc08b]
[pccp7:07182] [ 4] /home/micha/progs/lammps-16Feb16/src/lmp_ubuntu.1(_ZN9LAMMPS_NS17PairHybridOverlay5coeffEiPPc+0x19e) [0xeffdee]
[pccp7:07182] [ 5] /home/micha/progs/lammps-16Feb16/src/lmp_ubuntu.1(_ZN9LAMMPS_NS5Input15execute_commandEv+0xe9d) [0xb2ab1d]
[pccp7:07182] [ 6] /home/micha/progs/lammps-16Feb16/src/lmp_ubuntu.1(_ZN9LAMMPS_NS5Input4fileEv+0x31f) [0xb2af6f]
[pccp7:07182] [ 7] /home/micha/progs/lammps-16Feb16/src/lmp_ubuntu.1(main+0x46) [0x65dfc6]
[pccp7:07182] [ 8] /lib/libc.so.6(__libc_start_main+0xf5) [0x7fefc4db8ec5]
[pccp7:07182] [ 9] /home/micha/progs/lammps-16Feb16/src/lmp_ubuntu.1() [0x66f857]
[pccp7:07182] *** End of error message ***
Segmentation fault (core dumped)

2

Hi everybody,

I want to report an error with the polymorphic style in lammps (version
16. Feb. 2016).
Everytime i used the pair_style polymorphic a Segmentation fault appears
(see end of the mail, for an example setup, but it occured with all used
systems (same potential file, other configurations/systems)).

I checked my input file with old version of lammp(10Aug2015), and my
lammps version with input files
without polymorphic potential. They worked all.
I can fix it by using the old pair_polymorphic.cpp/.h files in the new
lammps version.
So i think/hope its not a fault on my inputfiles/system, (also recompiled
my old lammpsversion (10Aug2015), to check if its not a problem of my
libs).

I haven't found that files in the changed files since 16.Feb.2016, so i
wanted to report that issue.

​please note that the file format for the potentials has changed. so you
need to use a matching potential file with the newer​ version of LAMMPS
which contains and updated version of the pair style and an older version
of the potential file with the older version of LAMMPS.

axel.

3

with the following change to the pair style source, incompatible potential files can be detected and rejected with an error message.

axel.

diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp
index 5c3ffd6…d66526a 100755
— a/src/MANYBODY/pair_polymorphic.cpp
+++ b/src/MANYBODY/pair_polymorphic.cpp
@@ -614,16 +614,23 @@ void PairPolymorphic::read_file(char *file)
fgets(line,MAXLINE,fp);
n = strlen(line) + 1;
}

4

Thank you Alex!
I’ve converted it to the new style and now it works.

Micha