[CPMD-list] help on compiling

[HW Sheng]

Hi, Axel.

As instructed, I checked the data segment and stack size limit using
"ulimit -a". It reads like this:

core file size (blocks)        0
data seg size (kbytes)        unlimited
file size (blocks)        unlimited
max locked memory (kbytes)        unlimited
max memory size (kbytes)        unlimited
open files                  1024
pipe size (512 bytes)       8
stack size (kbytes)         8192
cpu time (seconds)          unlimited
max user processes          2046
virtual memory (kbytes)     unlimited

The stack size is much smaller than yours. But I am not sure whether or not
this will have a catastrophic effect on running cpmd jobs. Your thoughts?

By the way, are you also using compaq fortran 1.2 to compile cpmd? did you
see the similar problem (see below) while compiling?

f90: Info: ./swap.inc, line 28: Symbol in BLOCK DATA program unit is not in
a COMMON block. [IUNITSW]
    INTEGER       ISWFIRST, NSWBLOCK,IUNITSW,ISIDISW,ISWRES
....

(basically, it's indicating that the definition of line 28 and line 51 in
swap.inc is not in a common block. Here, I use "fort" instead of mpif77. In
fact, if mpif77 is invoked, this problem persists).

Thank you.

Howard

PS: your ideas about TCPU I posted yesterday are very plausible. I'll test
the timing results following your suggestions.