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ternaus / quest-qmc

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Bug in ggeom when you compile with ifort and intel MKL #11

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
compile with make.inc.mkl-icc

start ./geom in

get as an output:

./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
 ================================================================
forrtl: severe (173): A pointer passed to DEALLOCATE points to an object that 
cannot be deallocated
Image              PC                Routine            Line        Source      

ggeom              000000000058A845  dqmc_cfg_mp_dqmc_        1046  dqmc_cfg.F90
ggeom              00000000006E6EB0  dqmc_reclatt_mp_i          88  
dqmc_reclatt.F90
ggeom              0000000000539782  dqmc_geom_wrap_mp          65  
dqmc_geom_wrap.F90
ggeom              00000000004051B3  MAIN__                     50  ggeom.F90
ggeom              0000000000401EB6  Unknown               Unknown  Unknown
ggeom              00000000014749AC  Unknown               Unknown  Unknown
ggeom              0000000000401D83  Unknown               Unknown  Unknown

Original issue reported on code.google.com by iglovi...@gmail.com on 11 Dec 2013 at 10:11

Attachments:

GoogleCodeExporter commented 9 years ago 
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GoogleCodeExporter commented 9 years ago 
[deleted comment]
GoogleCodeExporter commented 9 years ago 
I need to be more accurate when I fill bug report. With default compiler flags 
that you can find now in make.inc.mkl-icc 

we do not get this problem. Problem appears when we compile with 

FC_FLAGS = -m64 -fast -warn all -unroll -traceback -check pointers -check 
bounds -fstack-security-check

I have strong feeling that this bug is related to the bugs

https://code.google.com/p/quest-qmc/issues/detail?id=13
https://code.google.com/p/quest-qmc/issues/detail?id=14

Original comment by iglovi...@gmail.com on 18 Dec 2013 at 7:14

GoogleCodeExporter commented 9 years ago 
After last Simone's bugfix there is no such an error anymore.

Original comment by iglovi...@gmail.com on 19 Dec 2013 at 11:29