ternaus / quest-qmc

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problem in the dgemm.f #13

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
gcc 4.8

FC_FLAGS   = -Wall -fbounds-check -fstack-check -fstack-protector

./ggeom in 

./ggeom in 
 Detected Geometry Free Format.
 ================================================================
 Basic real space geometry info

 Crystal atomic basis
  0     0.0000000     0.0000000     0.0000000

 Basis cell vectors
     1.0000000     0.0000000     0.0000000
     0.0000000     1.0000000     0.0000000
     0.0000000     0.0000000  1000.0000000

 Supercell vectors (fractionary unit)
    4    0    0
    0    4    0
    0    0    1

 Super-Lattice vectors (cartesian)
     4.0000000     0.0000000     0.0000000
     0.0000000     4.0000000     0.0000000
     0.0000000     0.0000000  1000.0000000

 ================================================================
 Real space lattice

 Number of orbitals in primitive cell:            1
 Total number of orbitals:                       16
 index  label   type       X           Y         Z   
  0 s0    0       0.00000       0.00000       0.00000
  1 s0    0       1.00000       0.00000       0.00000
  2 s0    0       2.00000       0.00000       0.00000
  3 s0    0       3.00000       0.00000       0.00000
  4 s0    0       0.00000       1.00000       0.00000
  5 s0    0       1.00000       1.00000       0.00000
  6 s0    0       2.00000       1.00000       0.00000
  7 s0    0       3.00000       1.00000       0.00000
  8 s0    0       0.00000       2.00000       0.00000
  9 s0    0       1.00000       2.00000       0.00000
 10 s0    0       2.00000       2.00000       0.00000
 11 s0    0       3.00000       2.00000       0.00000
 12 s0    0       0.00000       3.00000       0.00000
 13 s0    0       1.00000       3.00000       0.00000
 14 s0    0       2.00000       3.00000       0.00000
 15 s0    0       3.00000       3.00000       0.00000
 ================================================================
 Bonds (from input)
   1   1   0   0.0000000   0.0000000   0.0000000
   2   2   0   1.0000000   0.0000000   0.0000000
   3  -2   0  -1.0000000  -0.0000000  -0.0000000
   4   3   0   1.0000000   1.0000000   0.0000000
   5  -3   0  -1.0000000  -1.0000000  -0.0000000
   6   4   0   0.0000000   1.0000000   0.0000000
   7  -4   0  -0.0000000  -1.0000000  -0.0000000
   8   5   0  -1.0000000   1.0000000   0.0000000
   9  -5   0   1.0000000  -1.0000000  -0.0000000
 Wave coefficients
                 1         2         3         4         5         6         7         8         9
 s-wave       1.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
 s*-wave      0.00000   0.50000   0.50000   0.00000   0.00000   0.50000   0.50000   0.00000   0.00000
 s**-wave     0.00000   0.00000   0.00000   0.50000   0.50000   0.00000   0.00000   0.50000   0.50000
 d-wave       0.00000   0.50000   0.50000   0.00000   0.00000  -0.50000  -0.50000   0.00000   0.00000
 d*-wave      0.00000   0.00000   0.00000   0.50000   0.50000   0.00000   0.00000  -0.50000  -0.50000
============================================================================
 Warning: gamma wasn't initialized,  used default setting.
 Warning: accept wasn't initialized, used default setting.
 Warning: reject wasn't initialized, used default setting.
 Warning: HSFtype wasn't initialized, used default setting.
 Warning: delta1 wasn't initialized,  used default setting.
 Warning: delta2 wasn't initialized,  used default setting.
 Warning: ssxx wasn't initialized, used default setting.
At line 188 of file dgemm.f
Fortran runtime error: Actual string length is shorter than the declared one 
for dummy argument 'transa' (-1275345541/1)

Original issue reported on code.google.com by iglovi...@gmail.com on 14 Dec 2013 at 12:30

Attachments:

GoogleCodeExporter commented 9 years ago

Original comment by iglovi...@gmail.com on 17 Dec 2013 at 2:24

GoogleCodeExporter commented 9 years ago
My gcc version is 4.8.2
I cannot reproduce the error using the same compilation flag.
What's your makefile settings?

Original comment by cxc639 on 13 Feb 2014 at 7:15

GoogleCodeExporter commented 9 years ago
gcc 4.8.1

FC_FLAGS   = -Wall -fbounds-check -fstack-check -fstack-protector

Original comment by iglovi...@gmail.com on 13 Feb 2014 at 6:50

GoogleCodeExporter commented 9 years ago
Most likely this bug is related to 
https://code.google.com/p/quest-qmc/issues/detail?id=14

And if I am not wrong it is related to the fortran/C++ liniking, and not an 
issue of the QUEST, although it should be some workaround.

Original comment by iglovi...@gmail.com on 13 Feb 2014 at 6:51

GoogleCodeExporter commented 9 years ago
Makefile attached.

May be they fixed something in gcc 4.8.2, but I can not check it.

Original comment by iglovi...@gmail.com on 13 Feb 2014 at 6:57

Attachments:

GoogleCodeExporter commented 9 years ago
Since this is not an issue of QUEST and we are using OpenBLAS, should we close 
the ticket?

Original comment by cxc639 on 6 Aug 2014 at 7:39

GoogleCodeExporter commented 9 years ago
Let's close it.

Original comment by iglovi...@gmail.com on 6 Aug 2014 at 7:40