Version 4.4.3 of ABINIT (sequential version, prepared for a P6/Linux computer) Copyright (C) 1998-2004 ABINIT group . ABINIT comes with ABSOLUTELY NO WARRANTY. It is free software, and you are welcome to redistribute it under certain conditions (GNU General Public License, see ~ABINIT/Infos/copyright or http://www.gnu.org/copyleft/gpl.txt). ABINIT is a project of the Universite Catholique de Louvain, Corning Inc. and other collaborators, see ~ABINIT/Infos/contributors. Please read ~ABINIT/Infos/acknowledgments.htm for suggested acknowledgments of the ABINIT effort. For more information, see http://www.abinit.org . Starting date : Wed 13 Apr 2005. - input file -> gs.101 - output file -> gs_101.out - root for input files -> abi - root for output files -> abo Symmetries : space group Fm -3 m (#225); Bravais cF (face-center cubic) ================================================================================ Values of the parameters that define the memory need of the present run intxc = 0 ionmov = 0 iscf = 5 ixc = 11 lmnmax = 3 lnmax = 3 mband = 6 mffmem = 1 P mgfft = 36 mkmem = 10 mpssoang= 3 mpw = 1783 mqgrid = 1201 natom = 1 nfft = 46656 nkpt = 10 nloalg = 4 nspden = 1 nspinor = 1 nsppol = 1 nsym = 48 n1xccc = 0 ntypat = 1 occopt = 3 ================================================================================ P This job should need less than 15.036 Mbytes of memory. Rough estimation (10% accuracy) of disk space for files : WF disk file : 1.634 Mbytes ; DEN or POT disk file : 0.358 Mbytes. ================================================================================ -outvars: echo values of preprocessed input variables -------- acell 1.0580576574E+01 1.0580576574E+01 1.0580576574E+01 Bohr amu 4.00780000E+01 ecut 2.50000000E+01 Hartree ixc 11 kpt -1.25000000E-01 -2.50000000E-01 0.00000000E+00 -1.25000000E-01 5.00000000E-01 0.00000000E+00 -2.50000000E-01 -3.75000000E-01 0.00000000E+00 -1.25000000E-01 -3.75000000E-01 1.25000000E-01 -1.25000000E-01 2.50000000E-01 0.00000000E+00 -2.50000000E-01 3.75000000E-01 0.00000000E+00 -3.75000000E-01 5.00000000E-01 0.00000000E+00 -2.50000000E-01 5.00000000E-01 1.25000000E-01 -1.25000000E-01 0.00000000E+00 0.00000000E+00 -3.75000000E-01 0.00000000E+00 0.00000000E+00 kptrlen 4.23223063E+01 kptopt 1 kptrlatt 4 -4 4 -4 4 4 -4 -4 4 P mkmem 10 natom 1 nband 6 ngfft 36 36 36 nkpt 10 nstep 10 nsym 48 ntypat 1 occ 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 occopt 3 rprim 0.0000000000E+00 5.0000000000E-01 5.0000000000E-01 5.0000000000E-01 0.0000000000E+00 5.0000000000E-01 5.0000000000E-01 5.0000000000E-01 0.0000000000E+00 shiftk 5.00000000E-01 5.00000000E-01 5.00000000E-01 spgroup 225 symrel 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 -1 0 -1 1 0 -1 0 1 -1 0 0 1 -1 0 1 0 -1 1 0 -1 0 0 -1 0 1 -1 1 0 1 0 0 1 0 -1 1 -1 0 0 1 -1 1 0 -1 0 0 -1 0 -1 1 -1 0 1 0 0 1 -1 0 0 -1 1 0 -1 0 1 1 0 0 1 -1 0 1 0 -1 0 -1 1 1 -1 0 0 -1 0 0 1 -1 -1 1 0 0 1 0 1 0 0 0 0 1 0 1 0 -1 0 0 0 0 -1 0 -1 0 0 1 -1 0 0 -1 1 0 -1 0 -1 1 0 0 1 -1 0 1 -1 0 1 -1 1 0 -1 0 0 1 0 -1 1 -1 0 1 0 0 0 -1 0 1 -1 0 0 -1 1 0 1 0 -1 1 0 0 1 -1 1 0 -1 0 0 -1 0 1 -1 -1 0 1 0 0 1 0 -1 1 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 -1 -1 0 0 1 0 -1 0 1 -1 0 0 -1 -1 0 1 0 -1 1 0 0 1 0 -1 0 0 -1 1 1 -1 0 0 1 0 0 1 -1 -1 1 0 -1 0 1 -1 0 0 -1 1 0 1 0 -1 1 0 0 1 -1 0 0 1 0 1 0 0 0 0 1 0 -1 0 -1 0 0 0 0 -1 0 0 -1 0 1 -1 1 0 -1 0 0 1 0 -1 1 -1 0 1 1 -1 0 0 -1 1 0 -1 0 -1 1 0 0 1 -1 0 1 0 0 0 1 1 0 0 0 1 0 0 0 -1 -1 0 0 0 -1 0 -1 1 0 -1 0 0 -1 0 1 1 -1 0 1 0 0 1 0 -1 0 0 1 0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 1 -1 0 0 -1 0 0 -1 1 -1 1 0 0 1 0 0 1 -1 0 0 -1 1 0 -1 0 1 -1 0 0 1 -1 0 1 0 -1 1 -1 1 0 -1 0 1 -1 0 0 1 -1 0 1 0 -1 1 0 0 toldfe 1.00000000E-06 Hartree tsmear 1.83746623E-03 Hartree typat 1 wtk 0.09375 0.09375 0.09375 0.18750 0.09375 0.09375 0.09375 0.18750 0.03125 0.03125 znucl 20.00000 ================================================================================ chkinp: Checking input parameters for consistency. ================================================================================ == DATASET 1 ================================================================== Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1): R(1)= 0.0000000 5.2902883 5.2902883 G(1)= -0.0945128 0.0945128 0.0945128 R(2)= 5.2902883 0.0000000 5.2902883 G(2)= 0.0945128 -0.0945128 0.0945128 R(3)= 5.2902883 5.2902883 0.0000000 G(3)= 0.0945128 0.0945128 -0.0945128 Unit cell volume ucvol= 2.9612019E+02 bohr^3 Angles (23,13,12)= 6.00000000E+01 6.00000000E+01 6.00000000E+01 degrees getcut: wavevector= 0.0000 0.0000 0.0000 ngfft= 36 36 36 ecut(hartree)= 25.000 => boxcut(ratio)= 2.13783 --- Pseudopotential description ------------------------------------------------ - pspini: atom type 1 psp file is ca.optgga1.fhi - pspatm: opening atomic psp file ca.optgga1.fhi OPIUM generated Ca potential 20.00000 10.00000 50214 znucl, zion, pspdat 6 11 2 0 1122 0.00000 pspcod,pspxc,lmax,lloc,mmax,r2well 0.00000000000000 0.00000000000000 0.00000000000000 rchrg,fchrg,qchrg 1.013085 amesh (Hamman grid) pspatm: epsatm= 21.91371014 --- l ekb(1:nproj) --> 1 -4.480976 2 -4.001244 pspatm: atomic psp has been read and splines computed 2.19137101E+02 ecore*ucvol(ha*bohr**3) -------------------------------------------------------------------------------- P newkpt: treating 6 bands with npw= 1781 for ikpt= 1 P newkpt: treating 6 bands with npw= 1762 for ikpt= 2 P newkpt: treating 6 bands with npw= 1761 for ikpt= 3 P newkpt: treating 6 bands with npw= 1768 for ikpt= 4 P newkpt: treating 6 bands with npw= 1771 for ikpt= 5 P newkpt: treating 6 bands with npw= 1764 for ikpt= 6 P newkpt: treating 6 bands with npw= 1755 for ikpt= 7 P newkpt: treating 6 bands with npw= 1762 for ikpt= 8 P newkpt: treating 6 bands with npw= 1783 for ikpt= 9 P newkpt: treating 6 bands with npw= 1769 for ikpt= 10 setup2: Arith. and geom. avg. npw (full set) are 1766.063 1766.048 ================================================================================ iter Etot(hartree) deltaE(h) residm vres2 diffor maxfor ETOT 1 -36.542401158358 -3.654E+01 5.593E-02 7.253E+02 0.000E+00 0.000E+00 ETOT 2 -36.730539583168 -1.881E-01 4.486E-03 4.757E+01 0.000E+00 0.000E+00 ETOT 3 -36.745394085712 -1.485E-02 4.703E-04 1.103E+01 0.000E+00 0.000E+00 ETOT 4 -36.746046899151 -6.528E-04 3.039E-04 1.609E+00 0.000E+00 0.000E+00 ETOT 5 -36.746171511172 -1.246E-04 7.599E-05 4.649E-01 0.000E+00 0.000E+00 ETOT 6 -36.746182949439 -1.144E-05 1.491E-03 1.164E-02 0.000E+00 0.000E+00 ETOT 7 -36.746183503772 -5.543E-07 1.771E-04 2.412E-04 0.000E+00 0.000E+00 ETOT 8 -36.746183569755 -6.598E-08 2.398E-03 2.088E-05 0.000E+00 0.000E+00 At SCF step 8, etot is converged : for the second time, diff in etot= 6.598E-08 < toldfe= 1.000E-06 Cartesian components of stress tensor (hartree/bohr^3) sigma(1 1)= 3.52560100E-05 sigma(3 2)= 0.00000000E+00 sigma(2 2)= 3.52560100E-05 sigma(3 1)= 0.00000000E+00 sigma(3 3)= 3.52560100E-05 sigma(2 1)= 0.00000000E+00 ================================================================================ ----iterations are completed or convergence reached---- Mean square residual over all n,k,spin= 4.0241E-05; max= 2.3977E-03 -0.1250 -0.2500 0.0000 1 9.29517E-07 kpt; spin; max resid(k); each band: 6.30E-10 1.58E-10 6.29E-12 3.16E-11 7.22E-10 9.30E-07 -0.1250 0.5000 0.0000 1 3.70901E-09 kpt; spin; max resid(k); each band: 4.66E-10 6.12E-10 5.37E-11 6.53E-12 1.07E-09 3.71E-09 -0.2500 -0.3750 0.0000 1 6.55945E-06 kpt; spin; max resid(k); each band: 4.94E-10 2.66E-10 5.52E-11 6.51E-12 6.93E-10 6.56E-06 -0.1250 -0.3750 0.1250 1 1.06989E-06 kpt; spin; max resid(k); each band: 4.41E-10 3.91E-10 1.35E-10 1.35E-11 1.03E-09 1.07E-06 -0.1250 0.2500 0.0000 1 1.44505E-06 kpt; spin; max resid(k); each band: 5.74E-10 2.97E-10 6.97E-11 6.42E-12 7.95E-10 1.45E-06 -0.2500 0.3750 0.0000 1 4.04890E-08 kpt; spin; max resid(k); each band: 3.50E-10 4.73E-10 1.60E-10 6.59E-12 2.71E-09 4.05E-08 -0.3750 0.5000 0.0000 1 1.70433E-06 kpt; spin; max resid(k); each band: 2.81E-10 1.79E-10 7.65E-11 6.85E-12 1.30E-09 1.70E-06 -0.2500 0.5000 0.1250 1 4.92189E-06 kpt; spin; max resid(k); each band: 2.29E-10 2.67E-10 2.56E-10 3.05E-11 2.31E-08 4.92E-06 -0.1250 0.0000 0.0000 1 2.39772E-03 kpt; spin; max resid(k); each band: 6.92E-10 5.55E-11 7.92E-12 7.67E-12 7.06E-10 2.40E-03 -0.3750 0.0000 0.0000 1 9.44007E-10 kpt; spin; max resid(k); each band: 5.41E-10 5.42E-10 6.45E-12 6.45E-12 9.44E-10 6.40E-10 reduced coordinates (array xred) for 1 atoms 0.000000000000 0.000000000000 0.000000000000 rms dE/dt= 0.0000E+00; max dE/dt= 0.0000E+00; dE/dt below (all hartree) 1 0.000000000000 0.000000000000 0.000000000000 cartesian coordinates (angstrom) at end: 1 0.00000000000000 0.00000000000000 0.00000000000000 cartesian forces (hartree/bohr) at end: 1 0.00000000000000 0.00000000000000 0.00000000000000 frms,max,avg= 0.0000000E+00 0.0000000E+00 0.000E+00 0.000E+00 0.000E+00 h/b cartesian forces (eV/Angstrom) at end: 1 0.00000000000000 0.00000000000000 0.00000000000000 frms,max,avg= 0.0000000E+00 0.0000000E+00 0.000E+00 0.000E+00 0.000E+00 e/A length scales= 10.580576573839 10.580576573839 10.580576573839 bohr = 5.599000000000 5.599000000000 5.599000000000 angstroms Fermi (or HOMO) energy (hartree) = 0.09870 Average Vxc (hartree)= -0.27931 Eigenvalues (hartree) for nkpt= 10 k points: kpt# 1, nband= 6, wtk= 0.09375, kpt= -0.1250 -0.2500 0.0000 (reduced coord) -1.42896 -0.74662 -0.74532 -0.74525 -0.01153 0.15477 occupation numbers for kpt# 1 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 kpt# 2, nband= 6, wtk= 0.09375, kpt= -0.1250 0.5000 0.0000 (reduced coord) -1.42871 -0.74895 -0.74583 -0.74559 0.06517 0.10035 occupation numbers for kpt# 2 2.00000 2.00000 2.00000 2.00000 2.00000 0.57780 kpt# 3, nband= 6, wtk= 0.09375, kpt= -0.2500 -0.3750 0.0000 (reduced coord) -1.42875 -0.74789 -0.74602 -0.74589 0.03182 0.13435 occupation numbers for kpt# 3 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 kpt# 4, nband= 6, wtk= 0.18750, kpt= -0.1250 -0.3750 0.1250 (reduced coord) -1.42871 -0.74826 -0.74643 -0.74567 0.05119 0.12496 occupation numbers for kpt# 4 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 kpt# 5, nband= 6, wtk= 0.09375, kpt= -0.1250 0.2500 0.0000 (reduced coord) -1.42886 -0.74760 -0.74573 -0.74519 0.01089 0.14116 occupation numbers for kpt# 5 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 kpt# 6, nband= 6, wtk= 0.09375, kpt= -0.2500 0.3750 0.0000 (reduced coord) -1.42865 -0.74835 -0.74701 -0.74576 0.08327 0.10958 occupation numbers for kpt# 6 2.00000 2.00000 2.00000 2.00000 1.99955 0.00534 kpt# 7, nband= 6, wtk= 0.09375, kpt= -0.3750 0.5000 0.0000 (reduced coord) -1.42861 -0.74868 -0.74664 -0.74630 0.07912 0.12209 occupation numbers for kpt# 7 2.00000 2.00000 2.00000 2.00000 1.99995 0.00001 kpt# 8, nband= 6, wtk= 0.18750, kpt= -0.2500 0.5000 0.1250 (reduced coord) -1.42861 -0.74822 -0.74721 -0.74622 0.09545 0.11515 occupation numbers for kpt# 8 2.00000 2.00000 2.00000 2.00000 1.70842 0.00026 kpt# 9, nband= 6, wtk= 0.03125, kpt= -0.1250 0.0000 0.0000 (reduced coord) -1.42911 -0.74548 -0.74492 -0.74492 -0.03558 0.17828 occupation numbers for kpt# 9 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 kpt# 10, nband= 6, wtk= 0.03125, kpt= -0.3750 0.0000 0.0000 (reduced coord) -1.42880 -0.74859 -0.74535 -0.74535 0.03065 0.12082 occupation numbers for kpt# 10 2.00000 2.00000 2.00000 2.00000 2.00000 0.00001 ,Min el dens= 7.0488E-03 el/bohr^3 at reduced coord. 0.5000 0.5000 0.5000 , next min= 7.0566E-03 el/bohr^3 at reduced coord. 0.5000 0.5000 0.4722 ,Max el dens= 7.5268E-01 el/bohr^3 at reduced coord. 0.0833 0.9167 0.9444 , next max= 7.5268E-01 el/bohr^3 at reduced coord. 0.0556 0.9167 0.9444 -------------------------------------------------------------------------------- Components of total free energy (in Hartree) : Kinetic energy = 1.31353608825687E+01 Hartree energy = 1.00929730103356E+01 XC energy =-5.06685339174522E+00 Ewald energy =-2.16664093970553E+01 PspCore energy = 7.40027570837715E-01 Loc. psp. energy=-3.13830010186091E+01 NL psp energy=-2.59777980745400E+00 >>>>> Internal E=-3.67456821511216E+01 -kT*entropy =-5.01418633824358E-04 >>>>>>>>> Etotal=-3.67461835697554E+01 Other information on the energy : Total energy(eV)=-9.99914530024197E+02 ; Band energy (Ha)= -7.2341566887E+00 -------------------------------------------------------------------------------- Cartesian components of stress tensor (hartree/bohr^3) sigma(1 1)= 3.52560100E-05 sigma(3 2)= 0.00000000E+00 sigma(2 2)= 3.52560100E-05 sigma(3 1)= 0.00000000E+00 sigma(3 3)= 3.52560100E-05 sigma(2 1)= 0.00000000E+00 -Cartesian components of stress tensor (GPa) [Pressure= -1.0373E+00 GPa] - sigma(1 1)= 1.03726749E+00 sigma(3 2)= 0.00000000E+00 - sigma(2 2)= 1.03726749E+00 sigma(3 1)= 0.00000000E+00 - sigma(3 3)= 1.03726749E+00 sigma(2 1)= 0.00000000E+00 == END DATASET(S) ============================================================== ================================================================================ -outvars: echo values of variables after computation -------- acell 1.0580576574E+01 1.0580576574E+01 1.0580576574E+01 Bohr amu 4.00780000E+01 ecut 2.50000000E+01 Hartree etotal -3.6746183570E+01 fcart 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 ixc 11 kpt -1.25000000E-01 -2.50000000E-01 0.00000000E+00 -1.25000000E-01 5.00000000E-01 0.00000000E+00 -2.50000000E-01 -3.75000000E-01 0.00000000E+00 -1.25000000E-01 -3.75000000E-01 1.25000000E-01 -1.25000000E-01 2.50000000E-01 0.00000000E+00 -2.50000000E-01 3.75000000E-01 0.00000000E+00 -3.75000000E-01 5.00000000E-01 0.00000000E+00 -2.50000000E-01 5.00000000E-01 1.25000000E-01 -1.25000000E-01 0.00000000E+00 0.00000000E+00 -3.75000000E-01 0.00000000E+00 0.00000000E+00 kptrlen 4.23223063E+01 kptopt 1 kptrlatt 4 -4 4 -4 4 4 -4 -4 4 P mkmem 10 natom 1 nband 6 ngfft 36 36 36 nkpt 10 nstep 10 nsym 48 ntypat 1 occ 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.577795 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000001 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 1.999548 0.005342 2.000000 2.000000 2.000000 2.000000 1.999953 0.000006 2.000000 2.000000 2.000000 2.000000 1.708417 0.000258 2.000000 2.000000 2.000000 2.000000 2.000000 0.000000 2.000000 2.000000 2.000000 2.000000 2.000000 0.000012 occopt 3 rprim 0.0000000000E+00 5.0000000000E-01 5.0000000000E-01 5.0000000000E-01 0.0000000000E+00 5.0000000000E-01 5.0000000000E-01 5.0000000000E-01 0.0000000000E+00 shiftk 5.00000000E-01 5.00000000E-01 5.00000000E-01 spgroup 225 strten 3.5256009985E-05 3.5256009985E-05 3.5256009985E-05 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 symrel 1 0 0 0 1 0 0 0 1 -1 0 0 0 -1 0 0 0 -1 0 -1 1 0 -1 0 1 -1 0 0 1 -1 0 1 0 -1 1 0 -1 0 0 -1 0 1 -1 1 0 1 0 0 1 0 -1 1 -1 0 0 1 -1 1 0 -1 0 0 -1 0 -1 1 -1 0 1 0 0 1 -1 0 0 -1 1 0 -1 0 1 1 0 0 1 -1 0 1 0 -1 0 -1 1 1 -1 0 0 -1 0 0 1 -1 -1 1 0 0 1 0 1 0 0 0 0 1 0 1 0 -1 0 0 0 0 -1 0 -1 0 0 1 -1 0 0 -1 1 0 -1 0 -1 1 0 0 1 -1 0 1 -1 0 1 -1 1 0 -1 0 0 1 0 -1 1 -1 0 1 0 0 0 -1 0 1 -1 0 0 -1 1 0 1 0 -1 1 0 0 1 -1 1 0 -1 0 0 -1 0 1 -1 -1 0 1 0 0 1 0 -1 1 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 -1 -1 0 0 1 0 -1 0 1 -1 0 0 -1 -1 0 1 0 -1 1 0 0 1 0 -1 0 0 -1 1 1 -1 0 0 1 0 0 1 -1 -1 1 0 -1 0 1 -1 0 0 -1 1 0 1 0 -1 1 0 0 1 -1 0 0 1 0 1 0 0 0 0 1 0 -1 0 -1 0 0 0 0 -1 0 0 -1 0 1 -1 1 0 -1 0 0 1 0 -1 1 -1 0 1 1 -1 0 0 -1 1 0 -1 0 -1 1 0 0 1 -1 0 1 0 0 0 1 1 0 0 0 1 0 0 0 -1 -1 0 0 0 -1 0 -1 1 0 -1 0 0 -1 0 1 1 -1 0 1 0 0 1 0 -1 0 0 1 0 1 0 1 0 0 0 0 -1 0 -1 0 -1 0 0 1 -1 0 0 -1 0 0 -1 1 -1 1 0 0 1 0 0 1 -1 0 0 -1 1 0 -1 0 1 -1 0 0 1 -1 0 1 0 -1 1 -1 1 0 -1 0 1 -1 0 0 1 -1 0 1 0 -1 1 0 0 toldfe 1.00000000E-06 Hartree tsmear 1.83746623E-03 Hartree typat 1 wtk 0.09375 0.09375 0.09375 0.18750 0.09375 0.09375 0.09375 0.18750 0.03125 0.03125 znucl 20.00000 ================================================================================ - Total cpu time (s,m,h): 41.8 0.70 0.012 - Total wall clock time (s,m,h): 41.8 0.70 0.012 - For major independent code sections, cpu and wall times (sec), - as well as % of the total time and number of calls - routine cpu % wall % number of calls - (-1=no count) - fourwf(pot) 28.617 68.4 28.624 68.4 2928 - nonlop(apply) 3.164 7.6 3.245 7.8 2928 - fourwf(den) 2.627 6.3 2.616 6.3 468 - cgwf-O(npw) 1.160 2.8 1.167 2.8 -1 - projbd 1.094 2.6 1.011 2.4 4656 - fourdp 0.916 2.2 0.923 2.2 113 - xc:pot/=fourdp 0.699 1.7 0.696 1.7 9 - nonlop(forces) 0.496 1.2 0.496 1.2 480 - timing timab 0.426 1.0 0.426 1.0 10 - pspini 0.396 0.9 0.397 0.9 1 - getghc-other 0.348 0.8 0.394 0.9 -1 - vtowfk(ssdiag) 0.338 0.8 0.288 0.7 -1 - forces 0.264 0.6 0.260 0.6 8 - 44 others 1.020 2.4 1.037 2.5 - subtotal 41.564 99.4 41.580 99.4 ================================================================================ Calculation completed. Delivered 5 WARNINGs and 0 COMMENTs to log file. +Overall time at end (sec) : cpu= 41.8 wall= 41.8