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Compilation of Atompaw2abinit utility


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  • From: "Amancherla, Sundar (CORP, GEITC)" <Sundar.Amancherla@geind.ge.com>
  • To: <forum@abinit.org>
  • Subject: Compilation of Atompaw2abinit utility
  • Date: Mon, 6 Oct 2003 17:41:22 +0530

Hello users / developers...

I am trying to compile and use the atompaw for paw potentials. I
compiled atompaw - got this message while making on an SGI

$ f90 -mips4 -r14000 -TARG:platform=ip35 -bigp_on -Ofast -o atompaw
anderson_realmix.o alanfac.o apoisson.o atompaw.o boundsch.o boundsep.o
bsolvtphi.o dfatom.o dqij.o dtij.o dtij1.o dvij.o energyanalysis.o
exchcor.o excor.o excorp.o excorpbe.o expectation.o fcdfatom.o
fcsepatom.o findtpsi.o formbprojector.o formdensity.o formpotential.o
fourier.o ftprod.o ftproj.o fttphi.o globalconstants.o interpwf.o
inwardh.o kinetic.o kinetic1.o laplacian.o laplacian1.o linsol.o
logderiv.o makeblochl.o mkname.o modhatpot.o modrthomas.o nderiv.o
outwardh.o outwardi.o overint.o overlap.o poisson.o potential.o ranx.o
rcdfatom.o selfhatpot.o sepenergyanal.o sepnorm.o sethatexp.o
sethatsinc.o shift4.o smoothtoae.o sphbes.o thomas.o trunk.o
unboundsch.o unboundsep.o -lscs
"3.I": Warning: Stack frame size (79996928) larger than system limit
(67108864)

atompaw < O.input --> segmentation fault (core dumped)!!! Is it related
to the warning above?

=================================

I cannot even compile the Atompaw2abinit utility
________________________________________________________________________
_______________
rm -f defs_basis_cpp.f ; \
/usr/lib/cpp defs_basis.f > defs_basis_cpp.f ; \
f90 -mips4 -r14000 -TARG:platfrom=ip35 -Ofast -c
defs_basis_cpp.f ; \
mv defs_basis_cpp.o defs_basis.o ; \
rm defs_basis_cpp.f
Warning: Option 'platfrom' not in group 'TARG' (TARG:platfrom=ip35)
f90-1391 f90: WARNING in command line
Source file "defs_basis_cpp.f" contains no Fortran statements.

module defs_basis
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 29, Column = 2
The characters found in the label field are not valid.
^
f90-211 f90: ERROR MAIN__, File = defs_basis.f, Line = 29, Column = 6
Continuation is not allowed for this statement.

implicit none
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 31, Column = 2
The characters found in the label field are not valid.

integer, parameter :: i4b=selected_int_kind(9)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 37, Column = 2
The characters found in the label field are not valid.

integer, parameter :: i2b=selected_int_kind(4)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 40, Column = 2
The characters found in the label field are not valid.

integer, parameter :: i1b=selected_int_kind(2)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 41, Column = 2
The characters found in the label field are not valid.

integer, parameter :: dp=kind(1.0d0)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 50, Column = 2
The characters found in the label field are not valid.

integer, parameter :: dpc=kind((1.0d0,1.0d0)) ! Complex should not be
used presently
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 51, Column = 2
The characters found in the label field are not valid.

integer, parameter :: lgt=kind(.true.)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 64, Column = 2
The characters found in the label field are not valid.

integer, parameter :: fnlen=132 ! maximum length of file name
variables
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 67, Column = 2
The characters found in the label field are not valid.

integer, parameter :: strlen=16000 ! maximum length of input string
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 68, Column = 2
The characters found in the label field are not valid.

integer, parameter :: integer_not_used=0
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 71, Column = 2
The characters found in the label field are not valid.

logical, parameter :: logical_not_used=.true.
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 72, Column = 2
The characters found in the label field are not valid.

integer, parameter :: std_in=5,ab_in=5 ! generally, the number 5 is
directly used
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 76, Column = 2
The characters found in the label field are not valid.

integer, parameter :: std_out=6 ! generally, the number 6 is
directly used
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 77, Column = 2
The characters found in the label field are not valid.

integer, parameter :: ab_out=7
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 78, Column = 2
The characters found in the label field are not valid.

integer, parameter :: tmp_unit=9,tmp_unit2=10
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 79, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: zero=0._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 87, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: one=1._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 88, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: two=2._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 89, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: three=3._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 90, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: four=4._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 91, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: five=5._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 92, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: six=6._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 93, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: seven=7._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 94, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: eight=8._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 95, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: nine=9._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 96, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: ten=10._dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 97, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: half=0.50_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 100, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: third=one/three
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 101, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: quarter=0.25_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 102, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: fifth=0.20_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 103, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: sixth=one/six
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 104, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: seventh=one/seven
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 105, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: eighth=0.125_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 106, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: ninth=one/nine
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 107, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: two_thirds=two*third
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 108, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: four_thirds=four*third
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 109, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: three_quarters=0.75_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 110, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: pi=3.141592653589793238462643383279502884197_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 113, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: two_pi=two*pi
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 114, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: four_pi=four*pi
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 115, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: smallest_positive_real = epsilon(one)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 126, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: greatest_real = huge(one)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 127, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: smallest_real = -greatest_real
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 128, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: tol6= 0.000001_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 129, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: tol8= 0.00000001_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 130, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: tol10=0.0000000001_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 131, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: tol11=0.00000000001_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 132, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: tol12=0.000000000001_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 133, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: tol14=0.00000000000001_dp
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 134, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: Bohr_Ang=0.5291772083_dp ! 1 Bohr, in
Angstrom
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 139, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: Ha_cmm1=219474.6313710_dp ! 1 Hartree, in cm^-1

^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 140, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: Ha_eV=27.2113834_dp ! 1 Hartree, in eV
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 141, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: Ha_Hz=6579.683920735_dp ! 1 Hartree, in Hz
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 142, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: e_Cb=1.602176462d-19 ! minus the electron
charge, in Coulomb
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 143, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: kb_HaK=8.617342d-5/Ha_eV ! Boltzmann constant in
Ha/K
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 144, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: amu_emass=1.66053873d-27/9.10938188d-31 ! 1
atomic mass unit, in electronic mass
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 145, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: HaBohr3_GPa=Ha_eV/Bohr_Ang**3*e_Cb*1.0d+21 ! 1
Ha/Bohr^3, in GPa
^

f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 148, Column = 2
The characters found in the label field are not valid.

real(dp), parameter :: Avogadro=6.02214199d23 ! per mole
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 149, Column = 2
The characters found in the label field are not valid.

character*1, parameter :: ch10 = char(10)
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 152, Column = 2
The characters found in the label field are not valid.

end module defs_basis
^
f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 154, Column = 2
The characters found in the label field are not valid.

f90: SGI MIPSpro Fortran 90 Version 7.4 (f14) Mon Oct 6, 2003 17:37:57
f90: 155 source lines
f90: 62 Error(s), 1 Warning(s), 0 Other message(s), 0 ANSI(s)
cf90: "explain cf90-message number" gives more information about each
message
*** Error code 2 (bu21)
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

TIA

--
Aman



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