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HBHEL*MuAuÃxHZDH5ODH=DHN1赭Du*HpHOHHx[A\A]A^A_f.HcLhMc~LhLHILK<, D)HcHpL Hx[A\A]A^A_HU,xHCH5CH=CHN19IʉNUAHcLIHHH9(u@A9t;D9~DѿD)McKt!2 uHH2 u2ufDfDD)HcIfD؃ G@UHH]LeLmLuIL}H@9AE|5HcHHLH]LeLmLuL}f.LcLHID)LMLMyD9LM~XMcD)LILHcLMRHt1AD HH9wH]LeLmLuL}HcLHFfDUHAUIATISHHx5HcA| H u"ID DfDH uy҉uHOI$H[A\A]ÐHcH<НHcI$H[A\LHA]HXUHx7Hcǃ< Hu&HDH uyGDfDUHAUATSu#EE[A\A]19EtwA)D19tHcMcL\ID~;A9Cu3IL1f.DEHHIE9u99t"DM9u[A\1A]Í_A1)[A\GA]DUHAUIATAHSHE~U: u[HB1HH uBA9~&A)Hc1McKTfD HH9wH[A\A]1DL)HcHf.UHHHc1Ƀ| uPHLfDfDDHA uC)1HcHt HH9wH HcHHHD9)HcHcHHHHHc1fUHthtdEto1xZHcL~5E D; H1f.DFHE99Iy1fDfD1~E1ۅ~'DD;t;I1@EHIE9t#9AHD91DfDACf.GDfDU1HATSthEuhE1IcLcLI~aE D; t,H1fDDFHE9t 99t$AMD9u1[A\DWA9u[ABA\1UHAWHEAVAUATSHHxxHUHE(LEHHpLMȉ|HUE0LD}MD?ADfDHMP/UD!cHUEL*MtrLDLDLhA9AMĉxLhEHMHAD9|~\E0rHUHHHUD HBHEL*MuAuÃxH;H5;H=(<HN1UDu*HpH%@%B%D%F%H%J%L%N%P%R%T%V%X%Z%\%^%`%b%d%f%h%j%l%n%p%r%t%v%x%z%|%~%%%%%%%%%%%%%%%%%%%%%%__dyld_make_delayed_module_initializer_calls__dyld_mod_term_funcsCSR.fcasrw.flecbio.fleccas.flechin.flecisu.flecmdl.flecml2.flecmod.flecpdb.flecsdf.flecxyz.fmof.fvpver.f + %s addr2line-e-f-sr Backtrace for this error: *_gfortran_gfortranmain_start_gfortrani_handlerlibgfortran.solibgfortran.dyliblibgfortran.aMAIN__ + in the main program + function %s (0x%s) ?? from file %s at line %d of file %s ** Something went wrong while running addr2line. ** ** Falling back to a simpler backtrace scheme. ** pstack%dFloating-point exceptionSIGFPEIllegal instructionSIGILLBus errorSIGBUSSegmentation faultSIGSEGV Program received signal %d. Program received signal %d (%s): %s. Invalid value for record markerInvalid value for maximum subrecord lengthDefaultBad Set %s "%s" YesNo%s %s %s %d big_endianlittle_endianswapGNU Fortran 95 runtime library version UNKNOWN Environment variables: ---------------------- %sInteger Boolean String %s Runtime error codes: -------------------- %d %s %d %s Command line arguments: --help Print this list GFORTRAN_STDIN_UNITUnit number that will be preconnected to standard input (No preconnection if negative)GFORTRAN_STDOUT_UNITUnit number that will be preconnected to standard output (No preconnection if negative)GFORTRAN_STDERR_UNITUnit number that will be preconnected to standard error (No preconnection if negative)GFORTRAN_USE_STDERRSends library output to standard error instead of standard output.GFORTRAN_TMPDIRDirectory for scratch files. Overrides the TMP environment variable If TMP is not set /tmp is used.GFORTRAN_UNBUFFERED_ALLIf TRUE, all output is unbuffered. This will slow down large writes but can be useful for forcing data to be displayed immediately.GFORTRAN_UNBUFFERED_PRECONNECTEDIf TRUE, output to preconnected units is unbuffered.GFORTRAN_SHOW_LOCUSIf TRUE, print filename and line number where runtime errors happen.GFORTRAN_OPTIONAL_PLUSPrint optional plus signs in numbers where permitted. Default FALSE.GFORTRAN_DEFAULT_RECLDefault maximum record length for sequential files. Most useful for adjusting line length of preconnected units. Default 1073741824GFORTRAN_LIST_SEPARATORSeparator to use when writing list output. May contain any number of spaces and at most one comma. Default is a single space.GFORTRAN_CONVERT_UNITSet format for unformatted filesGFORTRAN_ERROR_DUMPCOREDump a core file (if possible) on runtime errorGFORTRAN_ERROR_BACKTRACEPrint out a backtrace (if possible) on runtime error** Warning: a core dump was requested, but the core sizelimit ** is currently zero. len >= GFC_XTOA_BUF_SIZE../../../gcc-4_5-branch/libgfortran/runtime/error.cAt line %d of file %s (unit = %d, file = '%s') At line %d of file %s (unit = %d) At line %d of file %s Operating system error: %s %s Fortran runtime error: Fortran runtime warning: Internal Error: %s End of recordEnd of fileSuccessful returnOperating system errorBad statement optionMissing statement optionConflicting statement optionsFile already opened in another unitUnattached unitFORMAT errorIncorrect ACTION specifiedRead past ENDFILE recordCorrupt unformatted sequential fileBad value during readNumeric overflow on readInternal error in run-time libraryInternal unit I/O errorWrite exceeds length of DIRECT access recordI/O past end of record on unformatted fileUnformatted file structure has been corruptedUnknown error codeFortran runtime error: %s Fortran runtime warning: %s %s%c%sUnable to determine machine endiannessMemory allocation failedSTOP %d STOP %cBad STATUS parameter in CLOSE statementCan't KEEP a scratch file on CLOSEkeepdeleteCannot BACKSPACE a file opened for DIRECT accessCannot BACKSPACE an unformatted stream fileCannot perform ENDFILE on a file opened for DIRECT accessCannot REWIND a file opened for DIRECT accessSpecified UNIT in FLUSH is not connectedLeft parenthesis required after '*'Expected P edit descriptor in formatComma required after P descriptorP descriptor requires leading scale factorFortran 2003: Round descriptor not allowedFortran 2003: DC or DP descriptor not allowedExtension: $ descriptorPositive exponent width required in formatMinimum digits exceeds field widthMissing initial left parenthesis in formatZero repeat count in item %d of list inputRepeat count overflow in item %d of list inputInteger overflow while reading item %dBad repeat count in item %d of list inputBad logical value while reading item %dBad integer for item %d in list inputInvalid string input in item %dBad real number in item %d of list inputBad floating point number for item %dBad complex value in item %d of list inputBad type for namelist object %sNon-standard expanded namelist read.Repeat count too large for namelist object %sRead type %s where %s was expected for item %dRead kind %d %s where kind %d is required for item %dBad type for list readIndex %d out of rangeBad range in index %dendBad data for namelist object %sCannot match namelist object name %s for namelist variable %sAttempt to get derived component for %sStep not allowed in substring qualifier for namelist object %sQualifier for a scalar or non-character namelist object %sMultiple sub-objects with non-zero rank in namelist object %sEqual sign must follow namelist object name %s%s Cannot change STATUS parameter in OPEN statementCannot change ACCESS parameter in OPEN statementCannot change FORM parameter in OPEN statementCannot change RECL parameter in OPEN statementCannot change ACTION parameter in OPEN statementOPEN statement must have a STATUS of OLD or UNKNOWNDELIM parameter conflicts with UNFORMATTED form in OPEN statementBLANK parameter conflicts with UNFORMATTED form in OPEN statementPAD parameter conflicts with UNFORMATTED form in OPEN statementDECIMAL parameter conflicts with UNFORMATTED form in OPEN statementENCODING parameter conflicts with UNFORMATTED form in OPEN statementROUND parameter conflicts with UNFORMATTED form in OPEN statementSIGN parameter conflicts with UNFORMATTED form in OPEN statementACCESS parameter conflicts with SEQUENTIAL access in OPEN statementMissing RECL parameter in OPEN statementRECL parameter is non-positive in OPEN statementFILE parameter must not be present in OPEN statementfort.%dnew_unit(): Bad statusFile '%s' does not existFile '%s' already existsPermission denied trying to open file '%s''%s' is a directoryUnit number changedBad ACCESS parameter in OPEN statementBad ACTION parameter in OPEN statementBad BLANK parameter in OPEN statementBad DELIM parameter in OPEN statementBad PAD parameter in OPEN statementBad DECIMAL parameter in OPEN statementBad ENCODING parameter in OPEN statementBad ASYNCHRONOUS parameter in OPEN statementBad ROUND parameter in OPEN statementBad SIGN parameter in OPEN statementBad FORM parameter in OPEN statementBad POSITION parameter in OPEN statementBad STATUS parameter in OPEN statementBad CONVERT parameter in OPEN statementIllegal value for CONVERTBad unit number in OPEN statementCannot use POSITION with direct access filesConflicting ACCESS and POSITION flags in OPEN statementExtension: APPEND as a value for ACCESS in OPEN statementError closing file in OPEN statementsequentialdirectappendstreamreadwritereadwritenoneyesnoutf-8defaultdownplusformattedunformattedasisrewindunknownoldnewreplacescratchnativeInvalid UTF-8 encodingBad integer kindUnsupported real kind during IOError during floating point readBad value on logical readBad value during integer readValue overflowed during integer readdtp->u.p.blank_status == BLANK_NULL../../../gcc-4_5-branch/libgfortran/io/read.cexponent < 10000Bad value during floating point readIllegal value for record markerINTEGERLOGICALCHARACTERREALCOMPLEXtype_name(): Bad typeExpected %s for item %d in formatted transfer, got %sDerived type I/O should have been handled via the frontend.transfer_array(): Bad typeInsufficient data descriptors in format after reversionformatted_transfer(): Bad typeConstant string in input formatBad format nodeBad unit number in statementCannot read from file opened for WRITECannot write to file opened for READFormat present for UNFORMATTED data transferA format cannot be specified with a namelistMissing format for FORMATTED data transferInternal file cannot be accessed by UNFORMATTED data transferDirect access data transfer requires record numberRecord number not allowed for sequential access data transferBad ADVANCE parameter in data transfer statementADVANCE specification conflicts with sequential accessADVANCE specification conflicts with internal fileADVANCE specification requires an explicit formatEOR specification requires an ADVANCE specification of NOSIZE specification requires an ADVANCE specification of NOEND specification cannot appear in a write statementEOR specification cannot appear in a write statementSIZE specification cannot appear in a write statementBad DECIMAL parameter in data transfer statementBad ROUND parameter in data transfer statementBad SIGN parameter in data transfer statementBad BLANK parameter in data transfer statementBad DELIM parameter in data transfer statementBad PAD parameter in data transfer statementPOS=specifier must be positivePOS=specifier too largePOS=specifier not allowed, Try OPEN with ACCESS='stream'Record number must be positiveRecord number too largeNon-existing record numberCannot READ after a nonadvancing WRITEComma in formatted numeric read.pointcommaupzeronearestcompatibleprocessor_definedsuppressnullapostrophequoteinsert(): Duplicate key found!Completing record after ADVANCE_NO failedNEWUNIT exhaustedregular_file(): Bad actionregular_file(): Bad status/tmpTMPTEMP%s/gfortrantmpXXXXXXopen_external(): Bad actionbad integer kind0len >= GFC_ITOA_BUF_SIZE../../../gcc-4_5-branch/libgfortran/io/write.cUnspecified precisionPrecision not greater than zero in format specifier 'E' or 'D'Scale factor out of range in format specifier 'E' or 'D'Unexpected format token%+0*d%+-#31.*e%+-#31.*Lebad real kind = %d*Bad type for namelist writelist_formatted_write(): Bad type& /MAXMINFirst argument of '%s' intrinsic should be presentSecond argument of '%s' intrinsic should be presentRANDOM_SEED should have at most one argument present.Array rank of PUT is not 1.Array size of PUT is too small.Array rank of GET is not 1.Array size of GET is too small.( ' IMOL1 , IMOL2 , ITERMX , CUT-OFF DIST ? ' , $ )( 255 A1 ) ,;/P >:( ' MOL. ' , I4 ,' :' , I6 , ' ATOMS ; ' , 80A1 )P( ' KIT =' , 3I8 , ' ; N =' , 2I6 , ' ; RMS , SUP :' , 4F13.6 )( 20I6 )( ' EERCO2 =' , I2 )( / ' M. Petitjean, Interactive Maximal Common 3D' , ' Substructure Searching' / ' with the Combined SDM/RMS' , ' Algorithm, Comput. Chem. 1998,22[6],463-465' / / ' Email: petitjean.chiral@gmail.com' )( ' KIT =' , I6 , ' ; DIMD TOO SMALL : KDS =' , I12 / ' CUT-OFF DIST MAY BE TOO LARGE' )( ' KIT =' , I6 , ' ; CUT-OFF DIST TOO SMALL : KDS =' , I12 )( ' KIT =' , I6 , ' ; CUT-OFF DIST TOO SMALL : K = KDS =' , I12 )( ' KIT =' , I6 , ' ; EIGENVECTOR PROBLEM : FLAG =' , I2 )D(i8,i7,i6,2i3,3i2,91a1)(255(i2,i3))(576(i3,i1))(12(3i3))(60(2i3))(43(i3,i2,i4,i3))Q???`ff???Q?@@33?( 80 A1 )end!DAPBC P(1X)(I2,I6,255(3F16.6)) ( 255 A1 )endmmol atom forceildm+sy01 at-*vn( 255 A1 )  ( A2 , I6 , 3F16.6 , F16.3 , F16.6 , I6 )d( '!' , F9.6 , 2X , I6 , 2X , 80A1 )( '!' , A2 , I6 , 3F16.6 , F16.3 , F16.6 , I6 )( F9.6 , 2X , I6 , 2X , 80A1 )( A2 , I6 , 3F16.6 , F16.3 , F16.6 , I6 )( 18 A1 )data__text( 255 A1 )@MOL @ATO@BON ( '@MOLECULE' )( I5,5I6 )( 'SMALL' / 'NO_CHARGES' // )('@ATOM' ) ( I7 , 1X , 8A1 , 3F10.4 , 1X , 5A1 , 4X , 1X , I1 , 1X , A10 , F7.4 , ' ' )( '@BOND' )( I6 , 2I5 , 1X , I1 )( I6 , 2I6 , 1X , I1 )( I6 , 2I5 , 1X , A2 )ar( I6 , 2I6 , 1X , A2 )( '@SUBSTRUCTURE' / ' 1 ' , A10 , ' 1 PERM 0 **** **** 0 ROOT ' )(80A1)data__text_structure_csd_matching_status perfect match partial match not matched not possibleloop_ @x P _ BIOCASHINISUMDLML2PDBSDFXYZ( 80 A1 )END ENDMDLHEADERATOM CA N C O  HEADR( A4 , 1X,I6 , 2X,A3 , 1X,A3 , 1X,A1 , I4 , 4X,3F8.3 , 1X,F5.2 , 1X,F5.2 , 10X , A2 , A2 )ATOM ( A4 , 1X,I6 , 1X,A2,2A1 , 1X,A3 , 1X,A1 , I4 , 4X,3F8.3 , 1X,F5.2 , 1X,F5.2 , 10X , A2 , A2 )N(255A1)(2I3)(3F10.4,1X,A3,I2,I3)(3I3)(2I3,' 0 0 0 0 0 0 0 0999 V2000')(3F10.4,1X,A2,1X,I2,I3,' 0 0 0 0 0 0 0 0 0 0')(3I3,' 0 0 0 0')( 'M END' / A4 )( 255 A1 ) (I8)(80A1)(A2,3F16.6)( 1X , A6 , ' FORMAT :' , ' BIO , CAS , HIN , ISU , MDL , ML2 , PDB , SDF , XYZ' , ' ? ' , $ )INPUT OUTPUT( A3 )BIOCASHINISUMDLML2PDBSDFXYZ( 1X , A6 , 1X , A3 , ' MOLEC FILE NAME ? ' , $ )( 255 A1 )( 1X , A6 , 1X , A3 , ' COORD FILE NAME ? ' , $ )OLDSEQUENTIALFORMATTEDNEW( ' ERROR OPEN ' , A6 , ' FILE : ' , 100A1 ) 0123456789abcdef0123456789ABCDEF0123456789ABCDEF-DT! @abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ@???@|=:0yE>ư>ư( ' >' , 130 ('-') , '<' / / ' MATRICE DE DIMENSION :' , I12 / )( 8 D16.6 )( / ' TRACE = ' ,D22.15, ' ; DETERMINANT LU = ' ,D22.15 , / ' ' , 22 X , ' DETERMINANT QR = ' ,D22.15 )( / ' TRACE = ' ,D22.15, ' ; DETERMINANT = ' ,D22.15 / / ' VALEURS PROPRES :' / )( I12 , ' : ' , D22.15 )( / ' VECTEURS PROPRES :' / )( / ' PLUS GRAND ELEMENT DE A.U - U.D :' , D10.3 / , ' PLUS GRAND ELEMENT DE UT.U - I :' , D10.3 / , / ' DETERMINANT DE U = ' , D22.15 , ' ; SYM = ' , L1 )( / 12 I11 )( / ' DIAGNOSTIC FINAL : FLAG =' , I12 / / ' >' , 130 ('-') , '<' )gfc_xtoaExhausted data descriptors in formatUnterminated character constant in formatPositive width required in formatHollerith constant extends past the end of the formatUnexpected end of format stringUnexpected element '%c' in format Zero width in format descriptorNonnegative width required in formatPeriod required in formatread_fNOYESUNKNOWNgfc_itoa0123456789ABCDEF'"'"'" ? 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