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
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Received on Mon Nov 02 2020 - 17:00:02 PST
