[molpro-user] problem in installing

Rajagopala Reddy seelam srgreddyseelam at yahoo.co.in
Tue Jan 18 17:18:05 GMT 2011


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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