[AMBER] Program received signal SIGSEGV: Segmentation fault - invalid memory reference

From: Sarah Jane <janesa13.yahoo.com>
Date: Tue, 3 Nov 2020 00:39:05 +0000 (UTC)

Dear All,I am getting the following error during minimization:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:#0  0x2aaaabd0050f in ???#1  0x599f89 in ???#2  0x59a9a6 in ???#3  0x561ed9 in ???#4  0x564627 in ???#5  0x733d22 in ???#6  0x4f5f15 in ???#7  0x4e1d89 in ???#8  0x4d93cc in ???#9  0x4d9430 in ???#10  0x2aaaabcecd1c in ???#11  0x4695b4 in ???
output file:
    4.  RESULTS--------------------------------------------------------------------------------
 --------------------------------------------------- APPROXIMATING switch and d/dx switch using CUBIC SPLINE INTERPOLATION using   5000.0 points per unit in tabled values TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff| CHECK switch(x): max rel err =   0.2738E-14   at   2.422500| CHECK d/dx switch(x): max rel err =   0.8332E-11   at   2.782960 ---------------------------------------------------| Local SIZE OF NONBOND LIST =   13443613| TOTAL SIZE OF NONBOND LIST =   13443613

   NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER      1              NaN            NaN     4.2887E+14     C7       8383
 BOND    =   204495.1417  ANGLE   =     1577.9986  DIHED      =     6132.5936 VDWAALS =           NaN  EEL     =           NaN  HBOND      =        0.0000 1-4 VDW =           NaN  1-4 EEL =      Infinity  RESTRAINT  =        0.0000
Input file:Minimization&cntrl imin=1, maxcyc=300, ntmin=1, ncyc=100, ntpr=1, ntr=0,/
Can you please advice something on this?Thanks in advance.Sarah
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 02 2020 - 17:00:02 PST
Custom Search