[molpro-user] Error upon installation of Molpro2012.1

Andy May MayAJ1 at cardiff.ac.uk
Thu Dec 27 15:01:30 GMT 2012


This appears to be a bug in the compiler, certainly this does not occur 
with Intel 12 or 13. I would suggest to update the compiler if possible, 
or alternatively use a different compiler.

If you really are stuck with this compiler then, starting from scratch:

1. run configure
2. remove MOLPRO_f2003 from CONFIG
3. build as normal

which should hopefully work around the problem by no longer compiling 
code which contains Fortran 2003 features, including this file.

Best wishes,


On 27/12/12 13:46, Evgeniy Gromov wrote:
> Dear Developers and Users of Molpro,
> I faced a problem when installing Molpro2012.1 (serial).
> The installation breaks down upon compilation of the neci module,
> with the errors shown below. The options used on the configuration:
> CONFIGURE_OPTIONS="-i8" "-openmp" "-icc" "-ifort" "-nocuda" "-blaspath"
> "/cvos/shared/apps/intel/Compiler/11.1.046/mkl/lib/em64t
> Any hint/point to get the problem over will be greatly appreciated.
> Best regards,
> Evgeniy
> make[3]: Entering directory
> `/home/evgeniy/prog/molpro2012.1/Molpro/src/neci'
> $(FC) -c $(FFLAGS) $(F90FLAGS) -O3 CCMCClusterList.F90
> macros.h(1): #warning: keyword redefined: CALL
> macros.h(3): #error: bad macro name.
> macros.h(7): #error: bad syntax in define
> macros.h(8): #error: bad macro name.
> macros.h(11): #error: bad syntax in define
> macros.h(12): #error: bad macro name.
> macros.h(13): #error: bad macro name.
> macros.h(14): #error: bad macro name.
> macros.h(15): #error: bad macro name.
> macros.h(16): #error: bad macro name.
> macros.h(19): #error: bad macro name.
> macros.h(22): #error: bad macro name.
> macros.h(26): #error: bad macro name.
> macros.h(29): #error: bad macro name.
> macros.h(30): #error: bad syntax in define
> macros.h(31): #error: bad syntax in define
> macros.h(32): #error: bad syntax in define
> macros.h(51): #error: bad macro name.
> macros.h(52): #error: bad macro name.
> macros.h(53): #warning: keyword redefined: if
> macros.h(53): #error: bad syntax in define
> macros.h(54): #warning: keyword redefined: if
> macros.h(54): #error: bad syntax in define
> macros.h(55): #warning: keyword redefined: if
> macros.h(55): #error: bad syntax in define
> macros.h(56): #warning: keyword redefined: if
> macros.h(56): #error: bad syntax in define
> macros.h(57): #warning: keyword redefined: endif
> macros.h(61): #warning: keyword redefined: if
> macros.h(62): #error: bad macro name.
> macros.h(69): #warning: keyword redefined: real
> macros.h(69): #error: bad syntax in define
> macros.h(70): #error: bad syntax in define
> macros.h(77): #error: unknown fpp directive.
> macros.h(79): #error: '#ifdef' argument starts with wrong symbol.
> macros.h(82): #warning: keyword redefined: type
> macros.h(105): #error: #endif without #if.
> CCMCClusterList.F90(1989): #error: macro recursion: CALL

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