Could use some flush statements with gfortran

raul_l · Post by **raul_l** » Tue Mar 31, 2015 12:52 pm

If I compile with the GNU compiler, then the 'out' file is not updated after each iteration when performing a scf calculation. After the printing of

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chkinp: Checking input parameters for consistency.

it prints nothing else until the calculation has finished. I can still use the log file, which is constantly updated, for checking the progress, but it would be more convenient to use the 'out' file. This is in contrast to the Intel compiler, which allows me to see information such as

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     iter   Etot(hartree)      deltaE(h)  residm     vres2
 ETOT  1  -230.11851422961    -2.301E+02 1.733E-01 8.238E+03
 ETOT  2  -230.26281844625    -1.443E-01 1.458E-03 7.966E+03
...

as the calculation is running. One way to fix this would be

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--- 67_common/scprqt.F90.bak   2015-03-27 14:34:38.365438943 +0200
+++ 67_common/scprqt.F90   2015-03-27 14:34:41.768772175 +0200
@@ -754,6 +754,8 @@
    end if
  end if
 
+ call flush()
+ 
  DBG_EXIT("COLL")
 
  contains

but perhaps the devs know of a better solution (I'm not so familiar with the code).

Jordan · Post by **Jordan** » Thu Apr 02, 2015 10:02 am

Your requestion has been taken into account.
It will be present in the next releases.

Jordan

ABINIT Discussion Forums

Could use some flush statements with gfortran [SOLVED]

Could use some flush statements with gfortran

Re: Could use some flush statements with gfortran [SOLVED]