[molpro-user] Problem in installing
Rajagopala Reddy seelam
srgreddyseelam at yahoo.co.in
Thu Jan 20 03:51:31 GMT 2011
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>
Subject: [molpro-user] problem in installing
To: molpro <molpro-user at molpro.net>
Message-ID: <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
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------------------------------
Message: 2
Date: Wed, 19 Jan 2011 08:28:26 +0000
From: Andy May <MayAJ1 at cardiff.ac.uk>
Subject: Re: [molpro-user] problem in installing
To: Rajagopala Reddy seelam <srgreddyseelam at yahoo.co.in>
Cc: molpro <molpro-user at molpro.net>
Message-ID: <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
> http://www.molpro.net/mailman/listinfo/molpro-user
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