The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear all,

The story is still going on ...

On 2007/05/14, at 15:44, Masayoshi Mikami wrote:
> My preoccupation came from the experience with v.4.6.x,
> where I used attached makefile_macros with "-O2" ...
        (snip)
> Thus, I would like to suggest "-O3 -tpp2" as default in configuration
> for Itanium2/ifort... Yann, how do you think ?

Then, I remember I had to check by running "make tests_dev".
When I run the tests_dev with v.5.3.4, I am having some runtime errors,
e.g. v1/t55 ...  on display, I found the following error message:

File abfiles.run created, starting abinit
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line         
Source
abinis             4000000000A8F241  Unknown               Unknown   
Unknown
abinis             40000000005BE9B0  Unknown               Unknown   
Unknown

In passing, from t55_STATUS
Status file, with repetition rate  49, status number   638
  Level abinit         : call driver
  Level driver         : call gstate
  Level gstate         : call scfcv
  Level scfcv          : call vtorho
  istep   =    8
  Level vtorho         : call vtowfk
  isppol  =    1
  ikpt    =    1
  Level vtowfk         : before loop
  Level cgwf           : loop iband
  iline   =  901

I did not have such errors with the binary compiled with "-O2".
Thus, I will need to reduce optimization level as -O2 for
some subroutines in ~ABINIT/src. Thus let me ask something :

In v.4.x.x, we had the following trick in makefile_macros:
FFLAGS=-FR -O3 -w -tpp2  # default
FFLAGS_Src_2psp =-FR -O2 -w -tpp2       # -O3 => -O2
FFLAGS_Src_6response =-FR -O2 -w -tpp2   # -O3 => -O2
FFLAGS_LIBS= -O3 -w  -tpp2
to have different optimization levels for the different source  
directories.

In v.5.3.x, how to set the FCFLAGS for the directories individually
when I run "./configure" ?

We might want to tune the optimization levels
for each of the directories in "src": namely,
00basis,  01manage_mpi, 11contract, 11util, 12ffts,
12geometry, 12nlstrain, 12parser,12poisson, 12spacepar
13io_mpi, 13ionetcdf, 13iovars, 13nonlocal, 13paw, 13psp
13recipspace, 13xc, 13xml, 14bader, 14iowfdenpot,
14occeig,14wfs, 14wvl_wfs, 15common, 15gw, 15rsprc
16geomoptim.16response, 17ddb, 17lwf, 17suscep.
18seqpar, 19cut3d, 21drive, 21paral_md, defs,
lib01cg, lib01fftnew. ib01hidempi, main

Regards,
Masayoshi