[Wien] compile wien2k_11.1 in mkl8.1, fortcom error

[Laurence Marks]

It looks like your rather old ifort cannot handle functions in
parameter declarations. At least for lapw2 it should be safe to use
the earlier version of c3fft (although I don't understand why you did
not get similar errors in lapw0). Cannot help with lapw1 as you did
not provide enough information.

2011/4/21 ZhenChen <zchen at blem.ac.cn>:
> Dear all,
> Recently, I have compiled the latest version, wien2k_11.1(downloaded on
> April 21, 2011), and got the 'fortcom errors' below.
> The errors mainly come from lapw2, so I also  present the content in
> SRC_lapw2/compile.msg file below.
>
> Our system is a two nodes cluster, every machine has two EM64T Intel(R)
> Xeon(TM) Processor 3.6GHz/1M CPUs, and the system is the Redhat enterprise
> 9.0 linux distribution (somewhat too old, maybe). I used intel mkl 8.1  and
> intel ifort 9.1.032 compiler. All earlier versions of wien2k (from wien2k_05
> to wien2k_10) have been successfully compiled and worked well in the last
> six years.
> The compiler options used for the newest version are
>
>  O   Compiler options:        -I/opt/intel/mkl/8.1/include -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
>  L   Linker Flags:            $(FOPT) -L/opt/intel/mkl/8.1/lib/em64t -lpthread
>  P   Preprocessor flags       '-DParallel'
>  R   R_LIB (LAPACK+BLAS):     -lmkl_lapack64 -lmkl_em64t -lguide -lvml -pthread
>
> By the way, no other errors occured except the list below. Are they bugs
> or my improper chosen compiler options?  Any comment or response is
> appreciated!
>
>
>
> Compile time errors (if any) were:
> SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
> SRC_lapw1/compile.msg:make: *** [complex] Error 2
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 680: This intrinsic function is invalid in constant expressions.   [DSQRT]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 999: This intrinsic function is invalid in constant expressions.   [DSQRT]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:make[1]: *** [c3fft.o] Error 1
> SRC_lapw2/compile.msg:make: *** [real] Error 2
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 680: This intrinsic function is invalid in constant expressions.   [DSQRT]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 999: This intrinsic function is invalid in constant expressions.   [DSQRT]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions.   [COS]
> SRC_lapw2/compile.msg:fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions.   [SIN]
> SRC_lapw2/compile.msg:make[1]: *** [c3fft.o] Error 1
> SRC_lapw2/compile.msg:make: *** [complex] Error 2
> SRC_mixer/compile.msg:make: *** [mixer] Error 1
>
>
> The content in the SRC_lapw2/compile.msg :
>
> fortcom: Error: c3fft_tmp_.F, line 680: This intrinsic function is invalid in constant expressions.   [DSQRT]
>       parameter (TAUR=-0.5D0, TAUI=dsqrt(0.75D0))
> -----------------------------------^
> fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions.   [COS]
>       parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=sin(acos(-1.D0)*0.4D0), &
> -----------------------^
> fortcom: Error: c3fft_tmp_.F, line 779: This intrinsic function is invalid in constant expressions.   [SIN]
>       parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=sin(acos(-1.D0)*0.4D0), &
> ----------------------------------------------------^
> fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions.   [COS]
>                  TR12=-cos(acos(-1.D0)*0.2D0), TI12=sin(acos(-1.D0)*0.2D0) )
> -----------------------^
> fortcom: Error: c3fft_tmp_.F, line 780: This intrinsic function is invalid in constant expressions.   [SIN]
>                  TR12=-cos(acos(-1.D0)*0.2D0), TI12=sin(acos(-1.D0)*0.2D0) )
> ----------------------------------------------------^
> fortcom: Error: c3fft_tmp_.F, line 999: This intrinsic function is invalid in constant expressions.   [DSQRT]
>       parameter (TAUR=-0.5D0, TAUI=-dsqrt(0.75D0))
> ------------------------------------^
> fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions.   [COS]
>       parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=-sin(acos(-1.D0)*0.4D0), &
> -----------------------^
> fortcom: Error: c3fft_tmp_.F, line 1097: This intrinsic function is invalid in constant expressions.   [SIN]
>       parameter (TR11= cos(acos(-1.D0)*0.4D0), TI11=-sin(acos(-1.D0)*0.4D0), &
> -----------------------------------------------------^
> fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions.   [COS]
>                  TR12=-cos(acos(-1.D0)*0.2D0), TI12=-sin(acos(-1.D0)*0.2D0) )
> -----------------------^
> fortcom: Error: c3fft_tmp_.F, line 1098: This intrinsic function is invalid in constant expressions.   [SIN]
>                  TR12=-cos(acos(-1.D0)*0.2D0), TI12=-sin(acos(-1.D0)*0.2D0) )
> -----------------------------------------------------^
> compilation aborted for c3fft_tmp_.F (code 1)
> make[1]: *** [c3fft.o] Error 1
>
>
>     PhD. candidate,  Zhen Chen
> ------------------------------
> Beijing Laboratory of Electron Microscopy
> Institute of Physics
> Chinese Academy of Sciences
> P. O. Box 603
> Beijing 100190, China
> Tel: 86-10-82648001
> 　　　　　　　　zchen at blem.ac.cn
> _______________________________________________
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>
>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi