Commit 134d45ef authored by Gregor Michalicek's avatar Gregor Michalicek

Removed some debug output from xml code path

parent a0da62e3
......@@ -285,8 +285,6 @@ SUBROUTINE r_inpXML(&
ALLOCATE (kpts%ntetra(4,kpts%ntet),kpts%voltet(kpts%ntet))
WRITE(*,*) 'Note: core states output (from input) into out.xml file has to be implemented!'
! Read in constants
xPathA = '/fleurInput/constants/constant'
......@@ -1172,29 +1170,29 @@ SUBROUTINE r_inpXML(&
WRITE (6,*) 'iggachk=1,idsprs0=1,idsprsl=1,idsprsi=1,idsprsv=1'
CALL juDFT_error("igrd =/= 0 or 1",calledby ="inped")
END IF
END IF
WRITE(*,*) 'Note: hybrid functionals input has to be realized at some point!'
IF (namex.EQ.'vhse') THEN
! overwrite if sane input
IF (aMix > 0 .and. aMix <= 1) THEN
aMix = aMix_VHSE( aMix )
ELSE
aMix = aMix_VHSE()
END IF
! overwrite if sane input
IF (omega > 0) THEN
omega = omega_VHSE(omega)
ELSE
omega = omega_VHSE()
END IF
END IF
WRITE(*,*) 'Note: hybrid functionals input has to be realized at some point!'
IF (namex.EQ.'vhse') THEN
! overwrite if sane input
IF (aMix > 0 .and. aMix <= 1) THEN
aMix = aMix_VHSE( aMix )
ELSE
aMix = aMix_VHSE()
END IF
! overwrite if sane input
IF (omega > 0) THEN
omega = omega_VHSE(omega)
ELSE
omega = omega_VHSE()
END IF
! WRITE (6,9041) namex,relcor,aMix,omega
ELSE
ELSE
! WRITE (6,9040) namex,relcor
END IF
END IF
l_gga = .FALSE.
IF (xcpot%icorr.GE.6) l_gga = .TRUE.
l_gga = .FALSE.
IF (xcpot%icorr.GE.6) l_gga = .TRUE.
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!! End of XC functional section
......@@ -1298,10 +1296,6 @@ SUBROUTINE r_inpXML(&
IF(speciesRepAtomType(iSpecies).EQ.-1) speciesRepAtomType(iSpecies) = iType
END IF
END DO
WRITE(*,*) 'Not every parameter in species is set yet!'
WRITE(*,*) 'nocoParams, ldaU, force'
END DO
atoms%lmaxd = maxval(atoms%lmax(:))
......@@ -1503,7 +1497,6 @@ SUBROUTINE r_inpXML(&
xmlCoreOccs (1,k,iType) = speciesXMLCoreOccs(1,k)
xmlCoreOccs (2,k,iType) = speciesXMLCoreOccs(2,k)
END DO
WRITE(*,*) 'setcor still has to be adapted!!!'
END IF
DO iLLO = 1, speciesNLO(iSpecies)
atoms%llo(iLLO,iType) = speciesLLO(loOrderList(iLLO))
......@@ -1908,7 +1901,6 @@ SUBROUTINE r_inpXML(&
! Calculate missing kpts parameters
WRITE(*,*) 'Post processing of input: k-points'
IF (.not.l_kpts) THEN
IF (.NOT.oneD%odd%d1) THEN
IF (jij%l_J) THEN
......@@ -1995,7 +1987,6 @@ SUBROUTINE r_inpXML(&
! Generate missing parameters for atoms and calculate volume of the different regions
WRITE(*,*) 'Post processing of input: atoms and region volumes'
cell%volint = cell%vol
atoms%jmtd = maxval(atoms%jri(:))
CALL ylmnorm_init(atoms%lmaxd)
......@@ -2065,7 +2056,6 @@ SUBROUTINE r_inpXML(&
! Dimensioning of lattice harmonics
WRITE(*,*) 'Post processing of input: dimensioning of lattice harmonics'
ALLOCATE(atoms%nlhtyp(atoms%ntype),atoms%ntypsy(atoms%nat))
ALLOCATE(sphhar%clnu(1,1,1),sphhar%nlh(1),sphhar%llh(1,1),sphhar%nmem(1,1),sphhar%mlh(1,1,1))
sphhar%ntypsd = 0
......@@ -2108,7 +2098,6 @@ SUBROUTINE r_inpXML(&
! Dimensioning of stars
WRITE(*,*) 'Post processing of input: dimensioning of stars'
IF (input%film.OR.(sym%namgrp.ne.'any ')) THEN
CALL strgn1_dim(stars%gmax,cell%bmat,sym%invs,sym%zrfs,sym%mrot,&
sym%tau,sym%nop,sym%nop2,stars%k1d,stars%k2d,stars%k3d,&
......@@ -2152,7 +2141,6 @@ SUBROUTINE r_inpXML(&
! Initialize missing 1D code arrays
WRITE(*,*) 'Post processing of input: initializing 1D code arrays'
ALLOCATE (oneD%ig1(-oneD%odd%k3:oneD%odd%k3,-oneD%odd%M:oneD%odd%M))
ALLOCATE (oneD%kv1(2,oneD%odd%n2d),oneD%nstr1(oneD%odd%n2d))
ALLOCATE (oneD%ngopr1(atoms%natd),oneD%mrot1(3,3,oneD%odd%nop),oneD%tau1(3,oneD%odd%nop))
......@@ -2161,7 +2149,6 @@ SUBROUTINE r_inpXML(&
! Initialize missing hybrid functionals arrays
WRITE(*,*) 'Post processing of input: hybrid functionals arrays'
ALLOCATE (hybrid%nindx(0:atoms%lmaxd,atoms%ntype))
ALLOCATE (hybrid%select1(4,atoms%ntype),hybrid%lcutm1(atoms%ntype))
ALLOCATE (hybrid%select2(4,atoms%ntype),hybrid%lcutm2(atoms%ntype),hybrid%lcutwf(atoms%ntype))
......@@ -2170,7 +2157,6 @@ SUBROUTINE r_inpXML(&
! Generate lattice harmonics
WRITE(*,*) 'Post processing of input: generation of lattice harmonics'
IF (.NOT.oneD%odd%d1) THEN
CALL local_sym(atoms%lmaxd,atoms%lmax,sym%nop,sym%mrot,sym%tau,&
atoms%natd,atoms%ntype,atoms%neq,cell%amat,cell%bmat,atoms%taual,&
......@@ -2235,7 +2221,6 @@ SUBROUTINE r_inpXML(&
! Generate stars
WRITE(*,*) 'Post processing of input: generation of stars'
IF (input%film.OR.(sym%namgrp.NE.'any ')) THEN
CALL strgn1(stars,sym,atoms,vacuum,sphhar,input,cell,xcpot)
IF (oneD%odd%d1) THEN
......@@ -2247,8 +2232,6 @@ SUBROUTINE r_inpXML(&
! Other small stuff
WRITE(*,*) 'Post processing of input: Small stuff at the end'
input%strho = .FALSE.
INQUIRE(file="cdn1",exist=l_opti)
......
......@@ -43,7 +43,7 @@ int initializeXMLInterface()
int parseXMLSchema(const char* schemaFilename)
{
schemaDoc = xmlReadFile(schemaFilename, NULL, 0);
printf("Parsing XML Schema file: %s\n", schemaFilename);
//printf("Parsing XML Schema file: %s\n", schemaFilename);
if (schemaDoc == NULL)
{
fprintf(stderr, "Failed to parse xml schema file %s\n", schemaFilename);
......@@ -68,10 +68,10 @@ int parseXMLSchema(const char* schemaFilename)
return -1;
}
xmlSchemaSetValidOptions(schemaValidCtxt,XML_SCHEMA_VAL_VC_I_CREATE);
printf("parseXMLSchema: schemaDoc: %p\n",schemaDoc);
printf("parseXMLSchema: schemaParserCtxt: %p\n",schemaParserCtxt);
printf("parseXMLSchema: schema: %p\n",schema);
printf("parseXMLSchema: schemaValidCtxt: %p\n",schemaValidCtxt);
//printf("parseXMLSchema: schemaDoc: %p\n",schemaDoc);
//printf("parseXMLSchema: schemaParserCtxt: %p\n",schemaParserCtxt);
//printf("parseXMLSchema: schema: %p\n",schema);
//printf("parseXMLSchema: schemaValidCtxt: %p\n",schemaValidCtxt);
return 0;
}
......@@ -84,14 +84,14 @@ int parseXMLDocument(const char* docFilename)
fprintf(stderr, "Failed to parse xml file %s\n", docFilename);
return -1;
}
printf("parseXMLDocument: xmlDocument: %p\n",xmlDocument);
//printf("parseXMLDocument: xmlDocument: %p\n",xmlDocument);
return 0;
}
int validateXMLDocument()
{
printf("validateXMLDocument: xmlDocument: %p\n",xmlDocument);
//printf("validateXMLDocument: xmlDocument: %p\n",xmlDocument);
if (schemaValidCtxt == NULL)
{
......
......@@ -31,7 +31,6 @@ SUBROUTINE xmlInitInterface()
end interface
errorStatus = 0
WRITE(*,*) 'Initializing xml interface'
errorStatus = initializeXMLInterface()
IF(errorStatus.NE.0) STOP 'Error!'
......@@ -57,9 +56,11 @@ SUBROUTINE xmlParseSchema(schemaFilename)
end interface
errorStatus = 0
WRITE(*,*) 'Parsing xml schema file ', TRIM(ADJUSTL(schemaFilename))
errorStatus = parseXMLSchema(schemaFilename)
IF(errorStatus.NE.0) STOP 'Error!'
IF(errorStatus.NE.0) THEN
WRITE(*,*) 'Parsing xml schema file ', TRIM(ADJUSTL(schemaFilename))
STOP 'Error: xml Schema file not parsable!'
END IF
END SUBROUTINE xmlParseSchema
......@@ -83,9 +84,11 @@ SUBROUTINE xmlParseDoc(docFilename)
end interface
errorStatus = 0
WRITE(*,*) 'Parsing xml document file ', TRIM(ADJUSTL(docFilename))
errorStatus = parseXMLDocument(docFilename)
IF(errorStatus.NE.0) STOP 'Error!'
IF(errorStatus.NE.0) THEN
WRITE(*,*) 'Parsing xml document file ', TRIM(ADJUSTL(docFilename))
STOP 'Error: xml document file not parsable!'
END IF
END SUBROUTINE xmlParseDoc
......@@ -106,9 +109,10 @@ SUBROUTINE xmlValidateDoc()
end interface
errorStatus = 0
WRITE(*,*) 'Validating xml document file'
errorStatus = validateXMLDocument()
IF(errorStatus.NE.0) STOP 'Error!'
IF(errorStatus.NE.0) THEN
STOP 'Error: xml document does not validate!'
END IF
END SUBROUTINE xmlValidateDoc
......@@ -129,7 +133,6 @@ SUBROUTINE xmlInitXPath()
end interface
errorStatus = 0
WRITE(*,*) 'Initializing xPath'
errorStatus = initializeXPath()
IF(errorStatus.NE.0) STOP 'Error!'
......@@ -181,8 +184,6 @@ FUNCTION xmlGetAttributeValue(xPath)
end function getXMLAttributeValue
end interface
! WRITE(*,*) 'Obtaining xml attribute value ', TRIM(ADJUSTL(xPath))
c_string = getXMLAttributeValue(TRIM(ADJUSTL(xPath))//C_NULL_CHAR)
CALL C_F_POINTER(c_string, valueFromC, [ 255 ])
......@@ -194,8 +195,6 @@ FUNCTION xmlGetAttributeValue(xPath)
END DO
length = LEN_TRIM(value(1:INDEX(value, CHAR(0))))
! WRITE(*,*) 'Attribute value is ', value(1:length-1)
xmlGetAttributeValue = value(1:length-1)
END FUNCTION xmlGetAttributeValue
......@@ -217,7 +216,6 @@ SUBROUTINE xmlFreeResources()
end interface
errorStatus = 0
WRITE(*,*) 'Releasing xml resources'
errorStatus = freeXMLResources()
IF(errorStatus.NE.0) STOP 'Error!'
......
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