Hi, I have been trying to convert rho files to xsf.
sies2xsf from the following link has been downloaded http://www.home.uni-osnabrueck.de/apostnik/download.html During SIESTA compilation following 'arch.make' was created. Following the compiler used for SIESTA mentioned in arch.make, I tried with the following 'Makefile" to compile seis2xsf.f files. But the following errors were seen and seemed like further compilation aborted right after compilation of eig2bxsf.f file. I would appreciate any help in this regard. * *Happy new year to all. Eric * Makefile *# # Makefile for Sies2xcf set of tools # # Compiler and options: # FC = ifort # FFLAGS = -mp1 -O3 -pc80 -prec_div -w FC=xlf95 FFLAGS=-g LFLAGS = $(FFLAGS) # EXECS = eig2bxsf xv2xsf md2axsf rho2xsf vib2xsf .f.o : $(FC) -c $(FFLAGS) $< all: $(EXECS) eig_obj = eig2bxsf.o inver3.o opnout.o xv_obj = xv2xsf.o opnout.o md_obj = md2axsf.o makebox.o fillbox.o inver3.o hit.o \ opnout.o test_ani.o test_md.o wraxsf1.o wraxsf2.o rho_obj = rho2xsf.o read_xv.o makebox.o fillbox.o inver3.o hit.o \ intpl04.o opnout.o vib_obj = vib2xsf.o read_xv.o makebox.o fillbox.o inver3.o hit.o \ displa.o opnout.o read_ev.o itochar.o w_arrow.o w_movie.o eig2bxsf : $(eig_obj) $(FC) $(LFLAGS) -o $@ $(eig_obj) xv2xsf : $(xv_obj) $(FC) $(LFLAGS) -o $@ $(xv_obj) md2axsf : $(md_obj) $(FC) $(LFLAGS) -o $@ $(md_obj) rho2xsf : $(rho_obj) $(FC) $(LFLAGS) -o $@ $(rho_obj) vib2xsf : $(vib_obj) $(FC) $(LFLAGS) -o $@ $(vib_obj) clean: @echo " Cleaning up" rm -f $(EXECS) *.o core* Error *xlf95 -g -c -o eig2bxsf.o eig2bxsf.f "eig2bxsf.f", line 1.1: 1515-019 (S) Syntax is incorrect. " eig2bxsf.f", line 2.5: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 3.15: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 4.15: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f ", line 5.28: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 6.1: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 7.15: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 8.15: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 8.23: 1515-018 (S) Incorrect character found in source at line 8 in column 23. Hexadecimal value of character is 40. "eig2bxsf.f", line 9.1: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", 1515-002 (S) END card is missing. One is assumed. ** _main === End of Compilation 1 === "eig2bxsf.f", line 14.68: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 15.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 16.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 17.6: 1514-050 (S) Specification statement is out of order. Statement is ignored. "eig2bxsf.f", line 18.63: 1514-050 (S) Specification statement is out of order. Statement is ignored. "eig2bxsf.f", line 18.63: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 19.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 20.6: 1514-050 (S) Specification statement is out of order. Statement is ignored. "eig2bxsf.f", line 21.6: 1514-050 (S) Specification statement is out of order. Statement is ignored. "eig2bxsf.f", line 22.6: 1514-050 (S) Specification statement is out of order. Statement is ignored. "eig2bxsf.f", line 23.6: 1514-050 (S) Specification statement is out of order. Statement is ignored. "eig2bxsf.f", line 24.1: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 25.7: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 26.7: 1515-019 (S) Syntax is incorrect. " eig2bxsf.f", line 27.25: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 28.7: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 29.7: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f ", line 30.0: 1515-010 (S) String is missing a closing delimiter. Closing delimiter assumed at end of line. "eig2bxsf.f", line 30.25: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 31.1 : 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 36.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 37.7: 1515-022 (S) Syntax Error: Extra token " inpfil " was found. The token is ignored. "eig2bxsf.f", line 39.17: 1512-024 (S) The FILE specifier must be a CHARACTER expression. "eig2bxsf.f", line 39.63: 1511-030 (S) ERR specifier references a statement that is not executable. " eig2bxsf.f", line 41.7: 1515-022 (S) Syntax Error: Extra token " inpfil " was found. The token is ignored. "eig2bxsf.f", line 43.17: 1512-024 (S) The FILE specifier must be a CHARACTER expression. "eig2bxsf.f", line 43.63: 1511-030 (S) ERR specifier references a statement that is not executable. "eig2bxsf.f", line 45.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 53.3 : 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 55.9: 1515-025 (S) Only a name of a variable, array element, or character substring is permitted on the left hand side of an assignment statement. " eig2bxsf.f", line 56.9: 1515-025 (S) Only a name of a variable, array element, or character substring is permitted on the left hand side of an assignment statement. "eig2bxsf.f", line 61.59: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 62.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 66.56: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 67.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 74.59: 1515-025 (S) Only a name of a variable, array element, or character substring is permitted on the left hand side of an assignment statement. "eig2bxsf.f", line 75.59: 1515-025 (S) Only a name of a variable, array element, or character substring is permitted on the left hand side of an assignment statement. "eig2bxsf.f", line 85.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 90.19: 1516-040 (S) Item has not been defined with the EXTERNAL or INTRINSIC attribute. "eig2bxsf.f", line 92.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 93.7: 1515-022 (S) Syntax Error: Extra token " inpfil " was found. The token is ignored. "eig2bxsf.f", line 95.17: 1512-024 (S) The FILE specifier must be a CHARACTER expression. "eig2bxsf.f", line 95.63: 1511-030 (S) ERR specifier references a statement that is not executable. "eig2bxsf.f", line 97.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 98.7 : 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 109.61: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 110.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 113.3 : 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 115.44: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 116.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 117.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 118.50: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 119.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 120.6: 1515-019 (S) Syntax is incorrect. " eig2bxsf.f", line 120.15: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 124.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 125.7: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 126.7: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 129.14: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 129.26: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 129.38: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 137.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 139.9: 1513-020 (S) Procedure names must be specified with arguments in this context. "eig2bxsf.f", line 139.34: 1513-020 (S) Procedure names must be specified with arguments in this context. "eig2bxsf.f", line 141.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 143.20: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 144.20: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 145.20: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 147.25: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 148.25: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 149.25: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 154.11: 1515-025 (S) Only a name of a variable, array element, or character substring is permitted on the left hand side of an assignment statement. "eig2bxsf.f", line 157.0: 1515-010 (S) String is missing a closing delimiter. Closing delimiter assumed at end of line. "eig2bxsf.f", line 157.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 158.19: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 158.33: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 159.19: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 159.33: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 160.19: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 160.33: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 165.11: 1515-025 (S) Only a name of a variable, array element, or character substring is permitted on the left hand side of an assignment statement. "eig2bxsf.f", line 168.0: 1515-010 (S) String is missing a closing delimiter. Closing delimiter assumed at end of line. "eig2bxsf.f", line 168.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f ", line 169.29: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 169.43: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 169.57: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 170.63: 1512-036 (W) Unexpected end of format specification in component number 0 of FORMAT statement. Missing right parenthesis is assumed. "eig2bxsf.f", line 171.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 184.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 187.11: 1515-022 (S) Syntax Error: Extra token " outfil " was found. The token is ignored. "eig2bxsf.f ", line 190.11: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 191.37: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 202.9: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f ", line 206.33: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 206.44: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 206.55: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 208.34: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 209.34: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 210.34: 1516-026 (S) Non-arrays must not be subscripted. "eig2bxsf.f", line 213.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 214.7: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 218.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 220.58: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 221.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 222.6: 1515-019 (S) Syntax is incorrect. " eig2bxsf.f", line 223.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 225.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 227.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f ", line 240.3: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 241.61: 1512-036 (W) Unexpected end of format specification in component number 0 of FORMAT statement. Missing right parenthesis is assumed. "eig2bxsf.f", line 242.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 244.41: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 245.45: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", line 246.6: 1515-019 (S) Syntax is incorrect. "eig2bxsf.f", 1516-036 (S) Entity iik has undefined type. "eig2bxsf.f", 1516-036 (S) Entity ik has undefined type. " eig2bxsf.f", 1516-036 (S) Entity relmin has undefined type. "eig2bxsf.f", 1516-036 (S) Entity ib has undefined type. "eig2bxsf.f", 1516-036 (S) Entity ialloc has undefined type. "eig2bxsf.f ", 1516-036 (S) Entity is has undefined type. "eig2bxsf.f", 1516-036 (S) Entity nspin has undefined type. "eig2bxsf.f", 1516-036 (S) Entity lumo has undefined type. "eig2bxsf.f", 1516-036 (S) Entity homo has undefined type. "eig2bxsf.f", 1516-036 (S) Entity kkp has undefined type. "eig2bxsf.f", 1516-036 (S) Entity itry3 has undefined type. "eig2bxsf.f", 1516-036 (S) Entity itry2 has undefined type. "eig2bxsf.f", 1516-036 (S) Entity dum has undefined type. "eig2bxsf.f", 1516-036 (S) Entity iband has undefined type. "eig2bxsf.f", 1516-036 (S) Entity itry1 has undefined type. " eig2bxsf.f", 1516-036 (S) Entity idiv3 has undefined type. "eig2bxsf.f", 1516-036 (S) Entity mkp has undefined type. "eig2bxsf.f", 1516-036 (S) Entity idiv1 has undefined type. "eig2bxsf.f ", 1516-036 (S) Entity idiv2 has undefined type. "eig2bxsf.f", 1516-036 (S) Entity c has undefined type. "eig2bxsf.f", 1516-036 (S) Entity iis has undefined type. "eig2bxsf.f", 1516-036 (S) Entity ndum has undefined type. "eig2bxsf.f", 1516-036 (S) Entity ikp has undefined type. "eig2bxsf.f", 1516-036 (S) Entity inpfil has undefined type. "eig2bxsf.f", 1516-036 (S) Entity ind has undefined type. " eig2bxsf.f", 1516-036 (S) Entity mdiv has undefined type. "eig2bxsf.f", 1516-036 (S) Entity nbands has undefined type. "eig2bxsf.f", 1516-036 (S) Entity jj has undefined type. "eig2bxsf.f ", 1516-036 (S) Entity ii has undefined type. "eig2bxsf.f", 1516-036 (S) Entity nkp has undefined type. "eig2bxsf.f", 1516-036 (S) Entity nbmax has undefined type. "eig2bxsf.f", 1516-036 (S) Entity nbmin has undefined type. "eig2bxsf.f", 1516-036 (S) Entity outfil has undefined type. "eig2bxsf.f", 1516-036 (S) Entity eneb has undefined type. "eig2bxsf.f", 1516-036 (S) Entity relk has undefined type. "eig2bxsf.f", 1516-036 (S) Entity small has undefined type. "eig2bxsf.f", 1516-036 (S) Entity irrek has undefined type. "eig2bxsf.f", 1516-036 (S) Entity ndiv has undefined type. " eig2bxsf.f", 1516-036 (S) Entity enek has undefined type. "eig2bxsf.f", 1516-036 (S) Entity cell has undefined type. "eig2bxsf.f", 1516-036 (S) Entity suffix has undefined type. "eig2bxsf.f ", 1516-036 (S) Entity syslab has undefined type. "eig2bxsf.f", 1516-036 (S) Entity rcell has undefined type. "eig2bxsf.f", 1516-036 (S) Entity twopi has undefined type. "eig2bxsf.f ", 1516-036 (S) Entity efermi has undefined type. ** ene2bxsf === End of Compilation 2 === 1501-511 Compilation failed for file eig2bxsf.f. make: *** [eig2bxsf.o] Error 1* arch.make* # # This file is part of the SIESTA package. # # Copyright (c) Fundacion General Universidad Autonoma de Madrid: # E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal # and J.M.Soler, 1996-2006. # # Use of this software constitutes agreement with the full conditions # given in the SIESTA license, as signed by all legitimate users. # .SUFFIXES: .SUFFIXES: .f .F .o .a .f90 .F90 SIESTA_ARCH=powerpc-apple-darwin7.9.0--Xlf FPP= FPP_OUTPUT= FC=xlf95 RANLIB=ranlib SYS=xlf SP_KIND=none DP_KIND=none KINDS=$(SP_KIND) $(DP_KIND) FFLAGS=-g FPPFLAGS= -WF,-DFC_HAVE_ABORT LDFLAGS= ARFLAGS_EXTRA= FCFLAGS_fixed_f=-qfixed -qsuffix=cpp=f FCFLAGS_free_f90=-qfree=f90 -qsuffix=f=f90 FPPFLAGS_fixed_F=-qfixed -qsuffix=cpp=F FPPFLAGS_free_F90=-qfree=f90 -qsuffix=cpp=F90 BLAS_LIBS=libblas.a LAPACK_LIBS=dc_lapack.a liblapack.a BLACS_LIBS= SCALAPACK_LIBS= COMP_LIBS=dc_lapack.a liblapack.a libblas.a NETCDF_LIBS= NETCDF_INTERFACE= LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(NETCDF_LIBS) #SIESTA needs an F90 interface to MPI #This will give you SIESTA's own implementation #If your compiler vendor offers an alternative, you may change #to it here. MPI_INTERFACE= MPI_INCLUDE= #Dependency rules are created by autoconf according to whether #discrete preprocessing is necessary or not. .F.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $< .F90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $< .f.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $< .f90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $<
