[molpro-user] gfortran 4.1.2 fails to compile due to (apparently) incorrect code
Jeff Hammond
jhammond at alcf.anl.gov
Sun Jan 8 20:19:50 GMT 2012
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)
>>
>> ===============================================================
>>
>
--
Jeff Hammond
Argonne Leadership Computing Facility
University of Chicago Computation Institute
jhammond at alcf.anl.gov / (630) 252-5381
http://www.linkedin.com/in/jeffhammond
https://wiki.alcf.anl.gov/old/index.php/User:Jhammond
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