Dear users and developers I have encountered a problem while compiling WIEN2k ver 12.1. I am running a machine with system Fedora 16 (64 bit version) and with Intel Core 2 processor. My compiler is gcc-gfortran. I have ATLAS math library installed.
During compilation process I can see several messages similar to this: ############################### assign 2021 to iform1 1 Warning: Deleted feature: ASSIGN statement at (1) init.f:264.17: READ(9,iform1) (CLM(I,L,JATOM),I=1,JRJ) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) ############################### and this: ############################### CALL CFFTI1 (N,WSAVE(IW1),WSAVE(IW2)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(4) fftpack_helpers.f:366.40: CALL CFFTF1 (N,C,WSAVE,WSAVE(IW1),WSAVE(IW2)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(4) fftpack_helpers.f:122.29: ############################### And this results with this message at the end of compilation process: ############################### Compile time errors (if any) were: SRC_aim/compile.msg:make[1]: *** [aim] Error 1 SRC_aim/compile.msg:make: *** [real] Error 2 SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 SRC_aim/compile.msg:make: *** [complex] Error 2 SRC_dipan/compile.msg:make: *** [dipan] Error 1 SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1 SRC_filtvec/compile.msg:make: *** [real] Error 2 SRC_filtvec/compile.msg:make[1]: *** [filtvecc] Error 1 SRC_filtvec/compile.msg:make: *** [complex] Error 2 SRC_hf/compile.msg:Error: Syntax error in array constructor at (1) SRC_hf/compile.msg:Error: Syntax error in array constructor at (1) SRC_hf/compile.msg:make[1]: *** [calc_exhfvv.o] Error 1 SRC_hf/compile.msg:make: *** [real] Error 2 SRC_hf/compile.msg:Error: Syntax error in array constructor at (1) SRC_hf/compile.msg:Error: Syntax error in array constructor at (1) SRC_hf/compile.msg:make[1]: *** [calc_exhfvv.o] Error 1 SRC_hf/compile.msg:make: *** [complex] Error 2 SRC_hf/compile.msg:modules_tmp_.F:182: Error: Can't open included file 'mpif.h' SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1 SRC_hf/compile.msg:make: *** [rp] Error 2 SRC_hf/compile.msg:modules_tmp_.F:182: Error: Can't open included file 'mpif.h' SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1 SRC_hf/compile.msg:make: *** [cp] Error 2 SRC_kgen/compile.msg:Error: Logicals at (1) must be compared with .eqv. instead of .eq. SRC_kgen/compile.msg:make: *** [arbmsh.o] Error 1 SRC_lapw0/compile.msg:Error: Logicals at (1) must be compared with .neqv. instead of .ne. SRC_lapw0/compile.msg:Error: Logicals at (1) must be compared with .eqv. instead of .eq. SRC_lapw0/compile.msg:Error: Logicals at (1) must be compared with .eqv. instead of .eq. SRC_lapw0/compile.msg:make[1]: *** [lapw0.o] Error 1 SRC_lapw0/compile.msg:make: *** [seq] Error 2 SRC_lapw0/compile.msg:modules.F:22: Error: Can't open included file 'mpif.h' SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw0/compile.msg:make: *** [para] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1 SRC_lapw1/compile.msg:make: *** [real] Error 2 SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1 SRC_lapw1/compile.msg:make: *** [complex] Error 2 SRC_lapw1/compile.msg:modules_tmp_.F:33: Error: Can't open included file 'mpif.h' SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw1/compile.msg:make: *** [rp] Error 2 SRC_lapw1/compile.msg:modules_tmp_.F:33: Error: Can't open included file 'mpif.h' SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw1/compile.msg:make: *** [cp] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1 SRC_lapw2/compile.msg:make: *** [real] Error 2 SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1 SRC_lapw2/compile.msg:make: *** [complex] Error 2 SRC_lapw2/compile.msg:modules_tmp_.F:47: Error: Can't open included file 'mpif.h' SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw2/compile.msg:make: *** [rp] Error 2 SRC_lapw2/compile.msg:modules_tmp_.F:47: Error: Can't open included file 'mpif.h' SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 SRC_lapw2/compile.msg:make: *** [cp] Error 2 SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1 SRC_lapw7/compile.msg:make: *** [real] Error 2 SRC_lapw7/compile.msg:make[1]: *** [lapw7c] Error 1 SRC_lapw7/compile.msg:make: *** [complex] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1 SRC_lapwdm/compile.msg:make: *** [real] Error 2 SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1 SRC_lapwdm/compile.msg:make: *** [complex] Error 2 SRC_lapwso/compile.msg:make: *** [lapwso] Error 1 SRC_mini/compile.msg:make: *** [mini] Error 1 SRC_mixer/compile.msg:make: *** [mixer] Error 1 SRC_pairhess/compile.msg:make: *** [pairhess] Error 1 SRC_qtl/compile.msg:make: *** [qtl] Error 1 SRC_structeditor/compile.msg:make[1]: *** [ncmsymmetry] Error 1 SRC_structeditor/compile.msg:make: *** [all] Error 2 SRC_vecpratt/compile.msg:make[1]: *** [vecpratt] Error 1 SRC_vecpratt/compile.msg:make: *** [real] Error 2 SRC_vecpratt/compile.msg:make[1]: *** [vecprattc] Error 1 SRC_vecpratt/compile.msg:make: *** [complex] Error 2 SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1 ################################### This problem results in improper working of the software. When I try to calculate one of example struct files provided with WIEN2k (in this case - coo.struct): ################################### At line 138 of file insld.f (unit = 6, file = 'coo.outputst') Fortran runtime error: Expected INTEGER for item 1 in formatted transfer, got REAL (/,'WARNING: R0=",f8.6," for atom',i5," Z=",f6.2," too big. Use 0.0001",/) ^ 0.000u 0.000s 0:10.64 0.0% 0+0k 0+64io 0pf+0w error: command /root/WIEN/lstart lstart.def failed stop error ################################## I "did my homework" and found out that this regards a function that was present in fortran 77, deprecated in fortran 90 and deleted in fortran 95. But as I can see script for configuring WIEN2k is prepared for usage gfortran so I suspect that there is simple way of solving this. I have entertained an idea of changing compiler to g77 but as it turns out I could not find a version compatible with 64 bit system. I also resorted to (and failed) attempts of using f2c as a compiler. I searched trough Manual, FAQ and the mailing lists but I did not find a solution. I found one similar but unanswered post on a mailing list. Please point me in the right direction. Should I change my compiler (if it is the case, then which should i chose for problemless compilation)? Or did I forget/miss something? Best regards