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Dear VASP Admin and users,

I'm trying to do metadynamics simulations. I installed VASP5.3.3 with -Dtbdyn option in CPP. But when I run the jobs it gets killed with the following error.

KCHF446R segmentation violation occurred.
KCHF446R segmentation violation occurred.
KCHF446R segmentation violation occurred.
KCHF446R segmentation violation occurred.
KCHF446R segmentation violation occurred.
KCHF446R segmentation violation occurred.
KCHF446R segmentation violation occurred.
KCHF446R segmentation violation occurred.
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x000000010170e218 DYNCONSTR%%LPROJ_OUT_STEP+0xba18
0x00000001016f0550 DYNCONSTR%%HILLS_METHOD_DIRECT+0x3010
0x00000001016f0550 DYNCONSTR%%HILLS_METHOD_DIRECT+0x3010
0x00000001016f0550 DYNCONSTR%%HILLS_METHOD_DIRECT+0x3010
0x00000001016f0550 DYNCONSTR%%HILLS_METHOD_DIRECT+0x3010
0x00000001016f0550 DYNCONSTR%%HILLS_METHOD_DIRECT+0x3010
0x00000001016f0550 DYNCONSTR%%HILLS_METHOD_DIRECT+0x3010
0x00000001016f0550 DYNCONSTR%%HILLS_METHOD_DIRECT+0x3010

My INCAR file
SYSTEM = M

IBRION = 0
POTIM = 1.0
PREC = medium
IWAVPR = 12

ALGO = Fast
LDIAG = .TRUE.

NELM = 40
NELMIN = 4
NELMDL = 0
EDIFF = 0.0001

LREAL= Auto
#
ISTART = 0
ICHARG = 2

NWRITE = 1

NSW = 50000
NBLOCK = 1
KBLOCK = 50000

# For temperatures close to Tm, increase SIGMA
ISMEAR = 0
SIGMA = 0.2
SMASS = 0
TEBEG = 500.0
TEEND = 500.0

NPAR = 8

# metadynamics tags

MDALGO = 21
HILLS_BIN = 10
HILLS_H = 0.01
HILLS_W = 0.01
STATUS = 5
LBLUEOUT=.TRUE.
#--------------- save memory--------------

ISYM = 0
LCHARG = .FALSE.
LELF = .FALSE.
LWAVE = .FALSE.
====================================
My ICONST file :
R 62 136 5
R 38 139 5
R 14 142 5
R 30 143 5
R 54 140 5
R 78 137 5
R 46 141 5
R 22 144 5
R 70 138 5
R 14 121 0
R 38 103 0
R 54 109 0
R 30 127 0
R 78 91 0
R 22 133 0
R 46 115 0
R 62 85 0
=======================================

If anyone can guess what is the problem and how I can solve it. Without ICONST file it run with same executable.

TIA.

Best regards,
PS

You are mixing the metadynamics (MDALGO = 21) with the calculation of the free-energy gradient.
Consult your computational model with the author of the metadynamics (Tomas Bucko).

Dear VASP Admin,

Thank you for your reply. But the same input files (MDALGO = 21 & LBLUEOUT=.TRUE.) work on other machines.

Best regards,
Pooja