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

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Thu Dec 27 16:31:58 GMT 2012

Dear Andy,

Many thanks for your response. You are right that the problem is
caused by the compiler, Intel 11. When I changed to PGF the compilation
went smooth.

Best regards,

Andy May wrote:
> Evgeniy,
> 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,
> Andy
> 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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Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg

Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de

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