Dear vasp users,
I want to see the relaxation in 2D metal nanosheets. The I/P file is
ISTART = 0
ICHARG = 2
ENCUT = 500.0
EDIFF = 1E-7
EDIFFG = -0.005
NSW = 1000
IBRION = 2
POTIM = 0.05
ISIF = 2
ISMEAR = 2
SIGMA = 0.2
I am using 11 x 11 x 1 k-grid.
After running it is telling the following error:
running on 32 nodes
distr: one band on 1 nodes, 32 groups
vasp.4.6.26 15Dec04 complex
POSCAR found : 0 types and 0 ions
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp 0000000000490E10 Unknown Unknown Unknown
vasp 0000000000423723 Unknown
--------------------------------------------------------------------------
mpirun has exited due to process rank 25 with PID 10995 on
node localhost.localdomain exiting improperly. There are two reasons this could occur:
1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.
2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"
This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
It tells each and every time when I am running the program with different parameters like IBRION = 1, ISMEAR = 1 etc..
I tried to fix it but I did not understand what causes it occurs. Can anyone suggest me how to overcome this problem?
Thanks,
Regards,
Vipin
Seems there is error in your POSCAR because it says "POSCAR found : 0 types and 0 ions". Please check that first.
"segmentation fault" may be caused by the lack of memory. To check this try lower ENCUT and smaller k-grid.
The POSCAR read error can be caused by using a VASP 5 format POSCAR file with VASP 4.6. If you have the element names on a line below the lattice vectors, then remove that line to get VASP 4 format.
Dear Torbjörn,
I am already using vasp 4 format still I am getting this error. I also tried the suggestion of Dear Aram, I tried it with smaller k-grid 7 x 7 x 1. Initially I was using 11 x 11 x 1.
Thanks for your replies.
your further suggestions may be helpful to me.
Thanking you.
Vipin
Well, you still have the basic error message:
POSCAR found : 0 types and 0 ions
If VASP finds no atoms in your POSCAR, then what you put in your INCAR is of no consequence. What does your POSCAR file look like?
Dear Torbjörn,
After Mr. Sahid comment, I corrected that also even it is giving the same problem.
My INCAR, POSCAR and K-point files are as follows:
INCAR:
SYSTEM = Rhodium
LREAL = .FALSE
PREC = Accurate
ISTART = 0
ICHARG = 2
ENCUT = 220.0
EDIFF = 1E-7
EDIFFG = -0.005
NSW = 1000
IBRION = 2
POTIM = 0.05
ISIF = 2
ISMEAR = 2
SIGMA = 0.2
ISYM = 2
SYMPREC = 1E-9
----------------------------------------------------------
POSCAR:
Rhodium
1.00000000000000
4.66254000 0.00000000 0.00000000
2.3312720 4.03800000 0.00000000
0.00000000 0.00000000 20.00000000
2
Direct
0.3333349703805908 0.3333336381018341 0.4999988423735928
0.6666650296194589 0.6666663618981588 0.5000011576264356
-----------------------------------------------------------------------------------------------------
K-point
0
Monkhorst-pack
7 7 1
0 0 0
Can you take look on my files? Please spare some time.
Thanking you.
Vipin
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