[molpro-user] Problem in installing
Andy May
MayAJ1 at cardiff.ac.uk
Thu Jan 20 09:19:06 GMT 2011
The fact you specify option '-x86_64' is concerning me greatly. Is this
really a 64-bit machine with 64-bit OS? If it is then this should be
automatically detected by configure. In addition:
/opt/intel/fc/9.1.036/bin/ifort
is almost certainly the location of the 32-bit compiler, since for this
version of the compiler, the 64-bit executables generally reside in
'fce' directory.
To clear about -x86_64 option: unless you are compiling on the head-node
of a Cray XT or NEC SX machine, for execution on the head-node only
(unlikely), then this option should not be specified.
Best wishes,
Andy
On 20/01/11 03:51, Rajagopala Reddy seelam wrote:
> Sorry for reposting
>
> Thank you Andy
> I think the problem is not with the mpich2 installation. I checked this
> by configuring molpro for serial execution by the command
>
> ./configure -batch -x86_64
>
> The output of the above command is
>
> machine type recognized as x86_64 (Generic 64-bit)
> kernel recognized as Linux
>
> Intel Fortran Compiler, Version 9.1
> FC=/opt/intel/fc/9.1.036/bin/ifort
>
> GNU Compiler Collection, Version 3.4.6
> CC=/usr/bin/gcc
>
> Use BLAS library - Automatically Tuned Linear Algebra Software (ATLAS)
> BLASLIB=-L/usr/lib64 -lf77blas -lcblas -latlas
>
> Use LAPACK library - undetermined LAPACK library, probably same type as BLAS
> LAPACKLIB=-L/usr/lib64 -llapack
>
> HDF5LIB=
>
> parse-Linux-x86_64-i8.o is your object
>
> CONFIG file created; proceed to compilation
>
> then also the error message is same. How can I use the blas and lapack
> libraries supplied in the source file.
>
>
>
> failed
> ld: Warning: size of symbol
> `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from
> 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol
> `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
> changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to
> 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 299 in ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 1399 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 301 in ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 299 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: skipping incompatible /usr/lib64/liblapack.so when searching for
> -llapack
> ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack
> ld: skipping incompatible /usr/lib64/liblapack.so when searching for
> -llapack
> ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack
> ld: skipping incompatible /usr/lib64/libf77blas.a when searching for
> -lf77blas
> ld: skipping incompatible /usr/lib64/libf77blas.a when searching for
> -lf77blas
> ld: skipping incompatible /usr/lib64/libf77blas.a when searching for
> -lf77blas
> ld: cannot find -lf77blas
> make[2]: [../bin/molpro.exe] Error 1 (ignored)
> failure
> ld: Warning: size of symbol
> `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed from
> 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol
> `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
> changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to
> 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 1369 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 299 in ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 1399 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 301 in ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 299 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: skipping incompatible /usr/lib64/liblapack.so when searching for
> -llapack
> ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack
> ld: skipping incompatible /usr/lib64/liblapack.so when searching for
> -llapack
> ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack
> ld: skipping incompatible /usr/lib64/libf77blas.a when searching for
> -lf77blas
> ld: skipping incompatible /usr/lib64/libf77blas.a when searching for
> -lf77blas
> ld: skipping incompatible /usr/lib64/libf77blas.a when searching for
> -lf77blas
> ld: cannot find -lf77blas
> make[2]: *** [../bin/molpro.exe] Error 1
> make[2]: Leaving directory `/usr/local/molpro2010.1/src'
> make[1]: *** [default] Error 2
> make[1]: Leaving directory `/usr/local/molpro2010.1/src'
> make: *** [src] Error 2
>
>
>
> S.Rajagopala Reddy
>
> Prof.Mahapatra lab
>
> School of Chemistry
>
> University of Hyderabad
>
>
> --- On *Wed, 19/1/11, molpro-user-request at molpro.net
> /<molpro-user-request at molpro.net>/* wrote:
>
>
> From: molpro-user-request at molpro.net <molpro-user-request at molpro.net>
> Subject: Molpro-user Digest, Vol 30, Issue 13
> To: molpro-user at molpro.net
> Date: Wednesday, 19 January, 2011, 5:30 PM
>
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> Today's Topics:
>
> 1. problem in installing (Rajagopala Reddy seelam)
> 2. Re: problem in installing (Andy May)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Tue, 18 Jan 2011 22:48:05 +0530 (IST)
> From: Rajagopala Reddy seelam <srgreddyseelam at yahoo.co.in
> </mc/compose?to=srgreddyseelam at yahoo.co.in>>
> Subject: [molpro-user] problem in installing
> To: molpro <molpro-user at molpro.net
> </mc/compose?to=molpro-user at molpro.net>>
> Message-ID: <819997.31218.qm at web95902.mail.in.yahoo.com
> </mc/compose?to=819997.31218.qm at web95902.mail.in.yahoo.com>>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear Molpro developers and users
> I am trying to install Molpro 2010.1 with patch level 8 in our
> x68_64 Linux machine.
>
> The command I used to configure is
>
> ./configure -batch -i8 -icc -mpp -mppbase /opt/mpich2/include
> then
> make -j
> The output of the above command is
> .
> .
> .
> .
> .
> compiling molver.f90
> make[3]: Leaving directory `/usr/local/molpro2010.1/src'
> linking ../bin/molpro.exe
> failed
> ld: Warning: size of symbol
> `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed
> from 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol
> `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
> changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o)
> to 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 1369 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 299 in
> ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 1399 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 301 in
> ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 299 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> to 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> to 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when
> searching for -lmpichcxx
> ld: cannot find -lmpichcxx
> make[2]: [../bin/molpro.exe] Error 1 (ignored)
> failure
> ld: Warning: size of symbol
> `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv' changed
> from 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol
> `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
> changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o)
> to 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 1369 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 299 in
> ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 1399 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to 301 in
> ../lib/libmolpro.a(base_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> changed from 299 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> to 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> changed from 301 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> to 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when
> searching for -lmpichcxx
> ld: cannot find -lmpichcxx
> make[2]: *** [../bin/molpro.exe] Error 1
> make[2]: Leaving directory `/usr/local/molpro2010.1/src'
> make[1]: *** [default] Error 2
> make[1]: Leaving directory `/usr/local/molpro2010.1/src'
> make: *** [src] Error 2
>
> I am attaching the CONFIG file for your attention.
> Thank you
> regards
>
> ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ??
> ???????????????????????????????????????????????????????????????
> S.Rajagopala Reddy
> ????????????????????????????????????????????????????????????? ? ? ?
> ? ? ? ? ? ? ? ? ? Prof.Mahapatra lab
> ???????????????????????????????????????????????????????????? ? ? ? ?
> ? ? ? ? ? ? ???? School of Chemistry
> ?????????????????????????????????????????????????????????????? ? ? ?
> ? ? ? ? ? ?? University of Hyderabad
>
>
> -------------- next part --------------
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>
> ------------------------------
>
> Message: 2
> Date: Wed, 19 Jan 2011 08:28:26 +0000
> From: Andy May <MayAJ1 at cardiff.ac.uk
> </mc/compose?to=MayAJ1 at cardiff.ac.uk>>
> Subject: Re: [molpro-user] problem in installing
> To: Rajagopala Reddy seelam <srgreddyseelam at yahoo.co.in
> </mc/compose?to=srgreddyseelam at yahoo.co.in>>
> Cc: molpro <molpro-user at molpro.net
> </mc/compose?to=molpro-user at molpro.net>>
> Message-ID: <4D36A0AA.6090906 at cardiff.ac.uk
> </mc/compose?to=4D36A0AA.6090906 at cardiff.ac.uk>>
> Content-Type: text/plain; charset=ISO-8859-1
>
>
> The warnings about size of symbol don't matter much, but I think if you
> try with patch level 10 they might disappear.
>
> The main problem is:
>
> ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching
>
> This sort of error is generally seen when trying to link a program
> against a library of a different architecture. You are trying to build a
> 64-bit version of Molpro, and my guess is that the installation of mpich
> you have is 32-bit, can you check this?
>
> Best wishes,
>
> Andy
>
> On 18/01/11 17:18, Rajagopala Reddy seelam wrote:
> > Dear Molpro developers and users
> > I am trying to install Molpro 2010.1 with patch level 8 in our x68_64
> > Linux machine.
> >
> > The command I used to configure is
> >
> > ./configure -batch -i8 -icc -mpp -mppbase /opt/mpich2/include
> > then
> > make -j
> > The output of the above command is
> > .
> > .
> > .
> > .
> > .
> > compiling molver.f90
> > make[3]: Leaving directory `/usr/local/molpro2010.1/src'
> > linking ../bin/molpro.exe
> > failed
> > ld: Warning: size of symbol
> > `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv'
> changed from
> > 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
> > ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> > ld: Warning: size of symbol
> >
> `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
> > changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to
> > 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> > changed from 1369 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 299 in ../lib/libmolpro.a(base_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> > changed from 1399 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 301 in ../lib/libmolpro.a(base_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> > changed from 299 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> > changed from 301 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> > ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching
> > for -lmpichcxx
> > ld: cannot find -lmpichcxx
> > make[2]: [../bin/molpro.exe] Error 1 (ignored)
> > failure
> > ld: Warning: size of symbol
> > `_ZNK6Molpro10StackArrayINS_15ContractedShellELi8EE4dataEv'
> changed from
> > 30 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to 28 in
> > ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> > ld: Warning: size of symbol
> >
> `_ZN6molpro10dftacg_LYPIRN6Molpro11MultiDoubleEEEviiiiT_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_S4_'
> > changed from 11153 in ../lib/libmolpro.a(vectorized_dfti_worker.o) to
> > 11227 in ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> > changed from 1369 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 299 in ../lib/libmolpro.a(base_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> > changed from 1399 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 301 in ../lib/libmolpro.a(base_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD1Ev'
> > changed from 299 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 1369 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> > ld: Warning: size of symbol `_ZN6molpro20base_pdf_dfti_workerD0Ev'
> > changed from 301 in
> ../lib/libmolpro.a(vectorized_pdf_dfti_worker.o) to
> > 1399 in ../lib/libmolpro.a(blas_pdf_dfti_worker.o)
> > ld: skipping incompatible /opt/mpich2/lib/libmpichcxx.a when searching
> > for -lmpichcxx
> > ld: cannot find -lmpichcxx
> > make[2]: *** [../bin/molpro.exe] Error 1
> > make[2]: Leaving directory `/usr/local/molpro2010.1/src'
> > make[1]: *** [default] Error 2
> > make[1]: Leaving directory `/usr/local/molpro2010.1/src'
> > make: *** [src] Error 2
> >
> > I am attaching the CONFIG file for your attention.
> > Thank you
> > regards
> >
> >
> >
> > S.Rajagopala Reddy
> >
>
> > Prof.Mahapatra lab
> >
>
> > School of Chemistry
> >
>
> > University of Hyderabad
> >
> >
> >
> >
> > _______________________________________________
> > Molpro-user mailing list
> > Molpro-user at molpro.net </mc/compose?to=Molpro-user at molpro.net>
> > http://www.molpro.net/mailman/listinfo/molpro-user
>
>
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