I am running jobs like

# opt freq uwb97xd/6-311g(d,p) integral=grid=ultrafine geom=connectivity

They complete the optimizations steps and then die during force calculations. An example of the last few lines of the out file are:

Symmetrizing basis deriv contribution to polar:

IMax=3 JMax=2 DiffMx= 0.00D+00

G2DrvN: will do 34 centers at a time, making 3 passes.

Calling FoFCou, ICntrl= 3107 FMM=T I1Cent= 0 AccDes= 0.00D+00.

Calling FoFCou, ICntrl= 3107 FMM=T I1Cent= 0 AccDes= 0.00D+00.

Calling FoFCou, ICntrl= 3107 FMM=T I1Cent= 0 AccDes= 0.00D+00.

59 vectors produced by pass 8 Test12= 3.84D-13 1.00D-09 XBig12= 1.11D-11 2.51D-07.

And this is what I see in the error file:

PGFIO/stdio: Operation not permitted

PGFIO-F-/formatted write/unit=6/error code returned by host stdio - 1.

File name = stdout formatted, sequential access record = 17

In source file lineq2.f, at line number 101

--- traceback not available

Can anyone help me identify and/or fix this problem?

More Kerry W Hipps's questions See All
Similar questions and discussions