Dear All,
I was
trying to run a MP2/6-31+G* calculation for a system with 232 basis functions
using the following route card:
#mp2(maxdisk=40GB)/6-31+g* fopt freq geom=check guess=read
Before
starting the calculation, I checked the disk space and found that 55GB is
available.
Filesystem Size Used Avail Use% Mounted on
/dev/mapper/VolGroup00-LogVol00
73G 14G 55G
21% /
/dev/sda1 99M 12M 82M 13% /boot
none
247M 0 247M 0% /dev/shm
However, after running the calculation, I got the following message.
**** Warning!!: The largest alpha MO coefficient is 0.60503943D+02
Disk-based method using ON**2 memory for 30 occupieds at a time.
Estimated scratch disk usage= 594240712 words.
Actual scratch disk
usage= 593732296 words.
Erroneous write during file extend. write 28671
instead of 4096
Probably out of disk space.
Write error in NtrExt1:
Success
Erroneous write during file extend. write 28671 instead of 4096
Probably out
of disk space.
Write error in NtrExt1
But, when I
checked the disk space again, the available space was still 53GB.
I shall be very much obliged if some one can help me
out.
Regards,
M. B. Phukan