qsimulate-open / bagel

Brilliantly Advanced General Electronic-structure Library
GNU General Public License v3.0
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Bagel Installation error in make #277

Closed satyam2709 closed 4 months ago

satyam2709 commented 4 months ago

Dear Developer:

I have tried again for bagel installation with the config : ../configure CXXFLAGS="-DNDEBUG -O3 -mavx" --with-boost=$BOOST_ROOT --with-mpi=mvapich --disable-shared --enable-static. The config was successful. When I am doing make then getting the following error.

/usr/bin/ld: unblocked.cc:(.text+0x179d): undefined reference to zgeru_' /usr/bin/ld: unblocked.cc:(.text+0x1814): undefined reference tozgeru' /usr/bin/ld: unblocked.cc:(.text+0x18a2): undefined reference to `zgemv' /usr/bin/ld: unblocked.cc:(.text+0x1919): undefined reference to zgeru_' /usr/bin/ld: unblocked.cc:(.text+0x19a7): undefined reference tozgemv' /usr/bin/ld: unblocked.cc:(.text+0x1a1e): undefined reference to `zgeru' /usr/bin/ld: unblocked.cc:(.text+0x1aa3): undefined reference to zrot_' /usr/bin/ld: unblocked.cc:(.text+0x1b14): undefined reference tozrot' /usr/bin/ld: unblocked.cc:(.text+0x1ba1): undefined reference to `zrot' /usr/bin/ld: unblocked.cc:(.text+0x1c0a): undefined reference to `zrot_' collect2: error: ld returned 1 exit status make[3]: [Makefile:547: BAGEL] Error 1 make[3]: Leaving directory '/home/koushik/Bagel-Satyam/bagel/bagel-master/obj/src' make[2]: [Makefile:625: all-recursive] Error 1 make[2]: Leaving directory '/home/koushik/Bagel-Satyam/bagel/bagel-master/obj/src' make[1]: [Makefile:422: all-recursive] Error 1 make[1]: Leaving directory '/home/koushik/Bagel-Satyam/bagel/bagel-master/obj' make: [Makefile:354: all] Error 2

Kindly help me.

with regards Satyam

shiozaki commented 4 months ago

The issue above is related to your installation of the BLAS libraries. Please consult with your system administrator. If you are using your own machine, I suggest installing MKL and setting the runtime environment properly. There are ample resources online.