<html><head><meta http-equiv="Content-Type" content="text/html charset=iso-8859-1"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">Dear Professor excuse me for the answer but what is the svn version??<div>I have also an other problem I am not able to compile QHA with gfortran.</div><div>I found this error:</div><div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">MacBook-Pro-di-Lorenzo-Dona:Al lorenzodona$ cd /Users/lorenzodona/Documents/espresso-5.0.99/QHA/Examples/Al/</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">MacBook-Pro-di-Lorenzo-Dona:Al lorenzodona$ Run_Me </div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">****** input tetrahedra for BZ-integration ******</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 4 1 12</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.000000 0.000000 0.000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.500000 0.500000 0.500000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.500000 0.000000 0.000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.500000 0.500000 0.000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">****** input tetrahedra for BZ-integration ******</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">********************** generate_tetra *********************</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> NT0= 1 NTETMX= 1728</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.0000 0.5000 0.5000 0.5000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.0000 0.5000 0.0000 0.5000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.0000 0.5000 0.0000 0.0000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 1.0000 1.0000 1.0000 1.0000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> volume of tetrahedron = 0.02083</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> total volume of BZ is = 0.0208 omg48= 96.0000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">****************** end of generate_tetra ******************</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> Recalculating omega(q) from C(R)</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 44 of file Partial_phonon_DOS.f90 (unit = 9, file = 'matdyn.modes')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: Bad value during floating point read</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> natoms== 4</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> irec==== 168</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.75000000000000000 </div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> Al1 Al2 </div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">It seems you have imaginary frequences.\ Hopefully you know what you are doing</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> nstep==== 446</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 153.7215 153.7215 153.7223</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 145.6765 155.2405 155.2451</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 153.6642 153.6642 153.6645</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 150.1399 150.1485 157.9149</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 137.3023 159.5947 159.6110</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 145.7365 155.1528 155.1576</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 141.9176 153.1774 160.8602</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 153.4544 153.4545 153.4553</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 150.1386 150.1470 157.7811</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 147.2314 147.2462 162.6442</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 128.6174 158.9711 166.1367</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> E_min= 0.0000000000000000 E_max= 319.81650000000002 </div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> nstep==== 446</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">****** input tetrahedra for BZ-integration ******</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 4 1 12</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.000000 0.000000 0.000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.500000 0.500000 0.500000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.500000 0.000000 0.000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.500000 0.500000 0.000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">****** input tetrahedra for BZ-integration ******</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">********************** generate_tetra *********************</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> NT0= 1 NTETMX= 1728</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.0000 0.5000 0.5000 0.5000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.0000 0.5000 0.0000 0.5000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 0.0000 0.5000 0.0000 0.0000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 1.0000 1.0000 1.0000 1.0000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> volume of tetrahedron = 0.02083</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> total volume of BZ is = 0.0208 omg48= 96.0000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">****************** end of generate_tetra ******************</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> before integration: E_min= 0.0000000000000000 E_max= 319.81650000000002 </div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 72 of file Integration.f (unit = 21, file = 'partial_DOS')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: Non-existing record number</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 58 of file Atom_projected_properties.f90 (unit = 9, file = 'projected.DOS')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 71 of file Mean_square_displacement.f90 (unit = 1, file = 'projected_DOS.Al1')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">mv: rename Displacements to Displacements.Al1: No such file or directory</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 58 of file Atom_projected_properties.f90 (unit = 9, file = 'projected.DOS')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 71 of file Mean_square_displacement.f90 (unit = 1, file = 'projected_DOS.Al2')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">mv: rename Displacements to Displacements.Al2: No such file or directory</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 58 of file Atom_projected_properties.f90 (unit = 9, file = 'projected.DOS')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 71 of file Mean_square_displacement.f90 (unit = 1, file = 'projected_DOS.Al3')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">mv: rename Displacements to Displacements.Al3: No such file or directory</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 58 of file Atom_projected_properties.f90 (unit = 9, file = 'projected.DOS')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">At line 71 of file Mean_square_displacement.f90 (unit = 1, file = 'projected_DOS.Al4')</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Fortran runtime error: End of file</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">mv: rename Displacements to Displacements.Al4: No such file or directory</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> ndiv from file === 446</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> ndiv=== 0</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 5.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 10.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 15.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 20.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 25.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 30.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 35.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 40.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 45.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 50.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 55.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 60.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 65.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 70.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 75.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 80.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 85.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 90.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 95.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 100.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 105.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 110.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 115.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 120.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 125.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 130.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 135.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 140.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 145.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 150.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 155.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 160.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 165.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 170.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 175.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 180.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 185.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 190.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 195.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 200.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 205.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 210.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 215.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 220.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 225.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 230.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 235.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 240.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 245.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 250.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 255.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 260.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 265.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 270.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 275.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 280.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 285.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 290.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 295.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 300.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 305.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 310.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 315.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 320.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 325.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 330.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 335.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 340.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 345.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 350.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 355.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 360.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 365.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 370.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 375.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 380.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 385.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 390.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 395.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 400.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 405.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 410.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 415.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 420.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 425.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 430.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 435.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 440.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 445.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 450.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 455.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 460.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 465.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 470.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 475.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 480.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 485.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 490.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 495.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> 500.00 0.00000000 0.00000000 0.00000000 0.00000000</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Phonon DOS and Quasiharmonic calculations have finished.</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Now you can analyse these data using Gnuplot or xmgrace</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Enjoy!</div></div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Can you help me to solve this problem??</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">I compiled QHA with gfortran and delete -static in every makefile</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">Thanks for your patience with me.</div><div style="margin: 0px; font-size: 11px; font-family: Menlo;">dearly lorenzo</div><div><div><div>Il giorno 09/apr/2014, alle ore 08:05, Paolo Giannozzi <<a href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>> ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite">On Tue, 2014-04-08 at 21:51 +0200, Lorenzo Donà wrote:<br><br><blockquote type="cite">Dear QE users i installed QE 5.1 <br></blockquote><br>there is no such version (yet). There is a pre-release so that<br>expert users and developers can fix bugs before the release.<br>Please verify if the error is still present in the svn version.<br><br>P.<br><br><blockquote type="cite">on mac 10.9.2<br>I run the tests and found no problem but i tried to run the example in<br>GWW and found an error in every examples:<br><br><br>MacBook-Pro-di-Lorenzo-Dona:example02 lorenzodona$ run_example <br><br><br>/Users/lorenzodona/Documents/espresso-5.0.99/GWW/examples/example02 :<br>starting<br><br><br>This example shows how to use pw.x head.x pw4gww.x gww. x to calculate<br>the GW QP levels of bulk Si<br><br><br> executables<br>directory: /Users/lorenzodona/Documents/espresso-5.0.99/bin<br> pseudo directory:<br> /Users/lorenzodona/Documents/espresso-5.0.99/pseudo<br> temporary directory:<br> /Users/lorenzodona/Documents/espresso-5.0.99/tempdir<br> checking that needed directories and files exist...<br>Downloading Si.pz-vbc.UPF<br>to /Users/lorenzodona/Documents/espresso-5.0.99/pseudo... done<br><br><br> running pw.x as:<br> /Users/lorenzodona/Documents/espresso-5.0.99/bin/pw.x <br><br><br><br><br> running pw.x as:<br> /Users/lorenzodona/Documents/espresso-5.0.99/bin/head.x <br><br><br><br><br> running pw4gww.x as:<br> /Users/lorenzodona/Documents/espresso-5.0.99/bin/pw4gww.x <br><br><br><br><br> running gww.x as:<br> /Users/lorenzodona/Documents/espresso-5.0.99/bin/gww.x <br><br><br> running the scf calculation for Si... done<br> running the head calculation for Si... done<br> running the nscf calculation for Si... done<br> running the pw4gww calculation for Si... done<br> running the gww calculation for Si...gww.x(31401,0x7fff7dbe2310)<br>malloc: *** error for object 0x7f964404d208: incorrect checksum for<br>freed object - object was probably modified after being freed.<br>*** set a breakpoint in malloc_error_break to debug<br><br><br>Program received signal SIGABRT: Process abort signal.<br><br><br>Backtrace for this error:<br>#0 0x10fd6b70d<br>#1 0x10fd6bc1b<br>#2 0x7fff989795a9<br>./run_example: line 240: 31401 Abort trap: 6 $GWW_COMMAND <<br>si_gww.in > si_gww.out<br>Error condition encountered during test: exit status = 134<br>Aborting<br><br><br>can you help me to solve this problem??<br>thanks to help me and for your patience with me<br>dearly lorenzo<br><br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://pwscf.org/mailman/listinfo/pw_forum<br></blockquote><br>-- <br>Paolo Giannozzi, Dept. Chemistry&Physics&Environment, <br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222 <br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://pwscf.org/mailman/listinfo/pw_forum</blockquote></div><br></div></body></html>