iOpenShell » Q-Chem specific questions » qchem compilation error - OpenBLAS linking error?

qchem compilation error - OpenBLAS linking error?

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Author Post
Member
Registered: Jul 2017
Posts: 3
I am trying to install QChem 4.3 using gcc 4.8 in centos 7.5.
I wonder if there is a matching between openblas and openmpi version.

I am using openmpi 1.10.1, openblas 0.2.20.

the error message is -----
[100%] Linking CXX executable qcprog.exe
[100%] Built target qcprog.exe
[100%] Built target diffParseAlone.exe
[100%] Built target mergeLines.exe
[100%] Built target response_testaux
[100%] Built target arma_test
[100%] Linking CXX executable motran_test
/home/joonho/sciwares/Qchem/qcextlibs/OpenBLAS/lib/libopenblas.a(dstedc.o): In function `dstedc_':
dstedc.f:(.text+0x44e): undefined reference to `_gfortran_pow_i4_i4'
dstedc.f:(.text+0x48b): undefined reference to `_gfortran_pow_i4_i4'
and more undfined reference message and last -----
/home/joonho/sciwares/Qchem/qcextlibs/OpenBLAS/lib/libopenblas.a(dormqr.o): In function `dormqr_':
dormqr.f:(.text+0x318): undefined reference to `_gfortran_concat_string'
dormqr.f:(.text+0x89c): undefined reference to `_gfortran_concat_string'
collect2: error: ld returned 1 exit status
make[2]: *** [responseman/tests/motran_test] Error 1
make[1]: *** [responseman/tests/CMakeFiles/motran_test.dir/all] Error 2
make: *** [all] Error 2

how to deal with this problem?
Administrator
Registered: Oct 2017
Posts: 17
This is a very old version of Q-Chem. I recommend to get a more up-to-date version. If the problem persists, this question should be moved to Q-Chem trac.
Member
Registered: Jul 2017
Posts: 3
I found that libopenblas doesnot define the above reference such as "gfortran_pow". When I type "grep gfortran_pow *", it shows "binary libopenblas.a matches". And "nm libopenblas.a " shows "U gfortran_pow_i4_i4". How can I compile OpenBLAS, which include gfortran_pow?

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