[molpro-user] gfortran 4.1.2 fails to compile due to (apparently) incorrect code
Andy May
MayAJ1 at cardiff.ac.uk
Mon Jan 9 13:19:17 GMT 2012
Jeff,
I no longer have access to a machine with XLF so have no recent
experience of the situation. However, last time I was able to test with
xlf was around a year ago and Molpro 2010.1 compiled with no problems
with xlf 9.1 compiler.
I notice that it fails compiling xml.f90, but all suffixes were
upper-cased some time ago, so I suspect this is not the most recent
tarball of Molpro (molpro.2010.1.25.tar.gz).
Best wishes,
Andy
On 08/01/12 20:19, Jeff Hammond wrote:
> Thanks, Andy. I will give up on GNU Fortran for now.
>
> However, the situation with XLF 11.0 (the only one available on BGP)
> is not much better (see below).
>
> Do you have any suggestions on how to compile with XLF 11?
>
> Thanks,
>
> Jeff
>
> make[3]: Entering directory `/gpfs/home/jhammond/MOLPRO/molpro2010.1/src/global'
> preprocessing xml.f90
> compiling xml.f90
> failed
> "../common/corb", line 71.20: 1514-200 (S) Automatic object isyval is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 71.34: 1514-200 (S) Automatic object iacval is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 71.48: 1514-200 (S) Automatic object iorbvl is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 72.20: 1514-200 (S) Automatic object listp is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 72.39: 1514-200 (S) Automatic object ivals is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 72.52: 1514-200 (S) Automatic object iclval is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 81.35: 1514-200 (S) Automatic object isyclo is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 81.50: 1514-200 (S) Automatic object ivalcl is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 85.30: 1514-200 (S) Automatic object isyact is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 87.30: 1514-200 (S) Automatic object ivalac is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 99.20: 1514-200 (S) Automatic object isyvac is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 99.34: 1514-200 (S) Automatic object iactvc is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 99.48: 1514-200 (S) Automatic object ivalvc is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 100.20: 1514-200 (S) Automatic object iclovc is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 101.20: 1514-200 (S) Automatic object ivacac is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 102.19: 1514-200 (S) Automatic object numop is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 103.36: 1514-200 (S) Automatic object iaaq is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 103.54: 1514-200 (S) Automatic object iaad is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 104.19: 1514-200 (S) Automatic object iccq is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 104.39: 1514-200 (S) Automatic object iccd is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 105.19: 1514-200 (S) Automatic object icaq is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 105.38: 1514-200 (S) Automatic object iacq is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 106.37: 1514-200 (S) Automatic object ivvd is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 107.19: 1514-200 (S) Automatic object icad is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 107.38: 1514-200 (S) Automatic object iacd is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 108.19: 1514-200 (S) Automatic object ivvq is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 109.20: 1514-200 (S) Automatic object ivvdb is
> not permitted to be an element of a COMMON block.
> "../common/corb", line 109.39: 1514-200 (S) Automatic object ivvqb is
> not permitted to be an element of a COMMON block.
> ** xml === End of Compilation 1 ===
> 1501-511 Compilation failed for file xml.f90.
> make[3]: *** [xml.o] Error 1
> make[3]: Target `targets' not remade because of errors.
> make[3]: Leaving directory `/gpfs/home/jhammond/MOLPRO/molpro2010.1/src/global'
> make[2]: *** [default] Error 2
> make[2]: Leaving directory `/gpfs/home/jhammond/MOLPRO/molpro2010.1/src/global'
> make[1]: *** [global] Error 2
> make[1]: Leaving directory `/gpfs/home/jhammond/MOLPRO/molpro2010.1/src'
> make: *** [src] Error 2
>
> On Sun, Jan 8, 2012 at 1:31 PM, Andy May<MayAJ1 at cardiff.ac.uk> wrote:
>> Jeff,
>>
>> Gfortran contained many critical bugs which meant perfectly reasonable code
>> could not be compiled until at least version 4.4 on Linux, and 4.5 on OSX. I
>> don't recommend attempting to compile with versions prior to Gfortran 4.5.
>> We currently have Linux/4.5.1 and OSX/4.6.2 regularly tested with no
>> problems.
>>
>> Best wishes,
>>
>> Andy
>>
>>
>> On 08/01/12 16:46, Jeff Hammond wrote:
>>>
>>> I am trying to compile Molpro 2010.1 on Blue Gene/P (PPC32 but
>>> otherwise fairly generic) with GNU Fortran (gfortran) 4.1.2. I see
>>> the following errors from the compiler.
>>>
>>> Is it unreasonable to expect Molpro to compile with gfortran 4.1.2? I
>>> have limited options from which to chose, including GCC 4.3.2 and XLF
>>> 9.0.
>>>
>>> Thanks,
>>>
>>> Jeff
>>>
>>> ===============================================================
>>>
>>> make[3]: Entering directory
>>> `/gpfs/home/jhammond/MOLPRO/molpro2010.1/src/argos'preprocessing
>>> artwo3.fcompiling artwo3.ffailed In file artwo3.f:1224
>>>
>>> if(ijlb.ge.kllb) go to 80
>>>
>>> 1Error: Label 80 referenced at (1) is never defined
>>>
>>> ===============================================================
>>>
>>> make[3]: Entering directory
>>> `/gpfs/home/jhammond/MOLPRO/molpro2010.1/src/fci'
>>> preprocessing fcicc.f90
>>> compiling fcicc.f90
>>> failed
>>> In file fcicc.f90:2687
>>>
>>> if (u%S) DEALLOCATE(u%u1a,u%u1b)
>>> 1
>>> Error: Expected VARIABLE at (1)
>>> In file fcicc.f90:2688
>>>
>>> if (u%D) DEALLOCATE(u%u2aa,u%u2ab,u%u2bb)
>>> 1
>>> Error: Expected VARIABLE at (1)
>>> In file fcicc.f90:3740
>>>
>>> if (v%D)
>>> DEALLOCATE(v%v2aa_aa,v%v2ab_ab,v%v2ba_ba,v%v2bb_bb,v%v2aa_bb,v%v2
>>> 1
>>> Error: Expected VARIABLE at (1)
>>>
>>> ===============================================================
>>>
>>> make[3]: Entering directory
>>> `/gpfs/home/jhammond/MOLPRO/molpro2010.1/src/vscf'
>>> preprocessing modsurf.f
>>> compiling modsurf.f
>>> failed
>>> In file modsurf.f:8443
>>>
>>> IF (IV(1) - 2) 50, 60, 260
>>> 1
>>> Warning: Obsolete: arithmetic IF statement at (1)
>>> In file modsurf.f:11889
>>>
>>> IF (DENMIN .NE. ZERO) WSCALE = DMIN1(ONE, DABS(SDOTWM/DENMIN))
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:12566
>>>
>>> IF (T1 .LT. BIG*DMIN1(RAD,ONE)) PSIFAC = T1 / RAD
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:12737
>>>
>>> ALPHAK = DMIN1(UK, DMAX1(ALPHAK, LK))
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:12808
>>>
>>> IF (PHI .LT. ZERO) UK = DMIN1(UK, ALPHAK)
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:12875
>>>
>>> 320 IF (ALPHAK .GT. ZERO) UK = DMIN1(UK, W(UK0))
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:12885
>>>
>>> 330 DELTA = ALPHAK + DMIN1(ZERO, V(DST0))
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:12928
>>>
>>> IF (V(DST0) .LE. ZERO) V(DST0) = DMIN1(V(DST0), T2**2 - ALPHAK)
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:13357
>>>
>>> IF (KA) 10, 20, 370
>>> 1
>>> Warning: Obsolete: arithmetic IF statement at (1)
>>> In file modsurf.f:13417
>>>
>>> ALPHAK = DMIN1(UK, DMAX1(ALPHAK, LK))
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:13569
>>>
>>> 300 IF (PHI .LT. ZERO) UK = DMIN1(UK, ALPHAK)
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>> In file modsurf.f:13632
>>>
>>> 440 V(GTSTEP) = DMIN1(DD7TPR(P,STEP,G), ZERO)
>>> 1
>>> In file common/vkeys:108
>>>
>>> Included at modsurf.f:11
>>>
>>> common /dmin1/ numdeg,levdeg
>>> 2
>>> Error: Global name 'dmin1' at (1) is already being used as a COMMON at (2)
>>>
>>> ===============================================================
>>>
>>> login3.surveyor:~/MOLPRO/molpro2010.1>
>>> /soft/apps/darshan/bin/default/mpif90 -show
>>>
>>> /bgsys/drivers/V1R4M2_200_2010-100508P/ppc/gnu-linux/bin/powerpc-bgp-linux-gfortran
>>> -fno-underscoring
>>> -I/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/default/include
>>> -I/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/default/include
>>> -I/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/sys/include
>>> -L/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/default/lib
>>> -L/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/default/lib
>>> -lmpich.cnkf90 -Wl,-rpath
>>> -Wl,/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/default/lib
>>> -lmpich.cnkf90 -lmpich.cnk -lopa
>>> -L/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/sys/lib
>>> -Wl,-rpath,/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/comm/sys/lib
>>> -ldcmf.cnk -ldcmfcoll.cnk -lpthread
>>> -L/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/runtime/SPI
>>> -Wl,-rpath,/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/runtime/SPI
>>> -lSPI.cna -lrt
>>>
>>> login3.surveyor:~/MOLPRO/molpro2010.1>
>>>
>>> /bgsys/drivers/V1R4M2_200_2010-100508P/ppc/gnu-linux/bin/powerpc-bgp-linux-gfortran
>>> -v
>>> Reading specs from
>>>
>>> /bgsys/drivers/V1R4M2_200_2010-100508P/ppc/gnu-linux/lib/gcc/powerpc-bgp-linux/4.1.2/specs
>>> Target: powerpc-bgp-linux
>>> Configured with:
>>>
>>> /bgsys/drivers/V1R4M2_200_2010-100508P/ppc/toolchain/gnu/gcc-4.1.2/configure
>>> --prefix=/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/gnu-linux
>>> --target=powerpc-bgp-linux --enable-multilib --enable-shared
>>> --enable-secureplt --disable-libmudflap --disable-libspp
>>>
>>> --with-headers=/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/toolchain/gnu/build-powerpc-bgp-linux/tempglibc-4.1.2-install/include
>>>
>>> --with-libs=/bgsys/drivers/V1R4M2_200_2010-100508P/ppc/toolchain/gnu/build-powerpc-bgp-linux/tempglibc-4.1.2-install/lib
>>> --with-long-double-128 --enable-threads=posix
>>> --enable-languages=c,c++,fortran
>>> Thread model: posix
>>> gcc version 4.1.2 (BGP)
>>>
>>> ===============================================================
>>>
>>
>
>
>
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