[CPMD-list] TH

[Weiguo Yin]

Dear all,

>as far as i remember the only advice for this problem on an SGI so
>far was to compile for 32 bit, i.e. get rid of -DPOINTER8,
>use -n32 instead of -64, and recompile everything.
>
>axel kohlmeyer.

It works for cpmd-test/std/Si64. Thanks to Axel kohlmeyer. My SGI (CPU:
MIPS R12000 + FPU: MIPS R12010) did not crash when SPLINE POINTS were set
500,1000,3000,5000, and 10000. Besides, neither using v3.5.4 nor
compilation without -r8 has significant impact on the speed of this simple
test.

                    ****************************
                    **    FURTHER QUESTION    **
                    ****************************
Why are "THE NEW SIZE OF THE PROGRAM" and "MEMORY" obtained in the test on
SGI much larger than those given in cpmd-test/std/Si64/out-1 and out-2?
Please refer to the following data:

-------------------------- cpmd-test/std/Si64/inp-1
------------------------
[My result, 2 processors, -n32 -r8]
  ***    RWFOPT| THE NEW SIZE OF THE PROGRAM IS  76611 kBYTES ***
  [PEAK NUMBER   83]      PEAK MEMORY      4806098 =   38.4 MBytes

[cpmd-test/std/Si64/out-1, 32 processors]
  ***    RWFOPT| THE NEW SIZE OF THE PROGRAM IS   8080 KBytes ***
  [PEAK NUMBER   82]      PEAK MEMORY       683044 =    5.5 MBytes

-------------------------cpmd-test/std/Si64/inp-2---------------------------
[My result, 2 processors -n32 -r8]
  ***    GMOPTS| THE NEW SIZE OF THE PROGRAM IS 67846 kBYTES ***
  ***     PHFAC| THE NEW SIZE OF THE PROGRAM IS 70139 kBYTES ***
  [PEAK NUMBER   95]      PEAK MEMORY      4185128 =   33.5 MBytes

[cpmd-test/std/Si64/out-2, 32 processors]
  ***    GMOPTS| THE NEW SIZE OF THE PROGRAM IS  5324 KBytes ***
  ***     PHFAC| THE NEW SIZE OF THE PROGRAM IS  5524 KBytes ***
  [PEAK NUMBER   95]      PEAK MEMORY       629261 =    5.0 MBytes

It appears that CPMD runs on the SGI ORIGIN platform are inefficient. Could
somebody tell me how to tune CPMD? Thanks in advance.

Weiguo Yin