Hello!
I want to optimize geometry with the keyword “FRGM_METHOD STOLL”
However, it doesn’t work.I am not sure how to find my problems. Here are my keyword in Input and the final several lines of output file.
INPUT:
$rem
JOB_TYPE OPT
BASIS 6-311G(d,p)
METHOD wB97X-D
FRGM_METHOD STOLL
GEOM_OPT_COORDS 0
SYM_IGNORE TRUE
SYMMETRY FALSE
GEOM_OPT_SYMFLAG 0
MAX_SCF_CYCLES 500
GEOM_OPT_MAX_CYCLES 500
SCF_CONVERGENCE 10
XC_GRID 000128000302
THRESH 14
purecart 2222
UNRESTRICTED FALSE
LIN_K FALSE
DIRECT_SCF TRUE
MEM_TOTAL 7200
MEM_STATIC 2000
$end
OPTPUT:
NewFileMan::OpenFile(): nopenfiles=19 maxopenfiles=32714 errno= 2
Q-Chem fatal error occurred in module /scratch/svnadmin/18824_zgan/qchem/libmdc/newfileman.C, line 121:
Could not open /tmp/04-LMO_LM2plot/187.0 for read/write in NewFileMan
NewFileMan::OpenFile(): nopenfiles=19 maxopenfiles=32714 errno= 2
Thank you for your help!