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Respected members,
I have installed gamess(current version) in a cluster with 64 bit Cent Os. Gamess is installed properly. I have chosen gfortran compiler and intel Math Kernel Library. MKL version is 9.1.023. Now when I am trying to execute, it is giving the error .... " gamess.01.x: error while loading shared libraries: libmkl_lapack.so: cannot open shared object file: No such file or directory". i have checked from all aspect but did not find any solution. Please tell me one thing Gfortran+MKL is correct choice or it is wrong. Or I should choose Gfortran+ACML. Please give me any suggestion.
I have installed gamess(current version) in a cluster with 64 bit Cent Os. Gamess is installed properly. I have chosen gfortran compiler and intel Math Kernel Library. MKL version is 9.1.023. Now when I am trying to execute, it is giving the error .... " gamess.01.x: error while loading shared libraries: libmkl_lapack.so: cannot open shared object file: No such file or directory". i have checked from all aspect but did not find any solution. Please tell me one thing Gfortran+MKL is correct choice or it is wrong. Or I should choose Gfortran+ACML. Please give me any suggestion.
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You must set LD_LIBRARY_PATH so as to include your MKL .so directory in the execution environment on each node, with the MKL .so accessible on each node. You would have similar issues if you linked an ACML .so.
If you use gfortran OpenMP options (which are available only in gfortran since 4.2), along with MKL threaded support, you will need to link libiomp5, which may not have been released at the time of your old MKL. gfortran support is better in current MKL.
If you use gfortran OpenMP options (which are available only in gfortran since 4.2), along with MKL threaded support, you will need to link libiomp5, which may not have been released at the time of your old MKL. gfortran support is better in current MKL.
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Quoting - tim18
You must set LD_LIBRARY_PATH so as to include your MKL .so directory in the execution environment on each node, with the MKL .so accessible on each node. You would have similar issues if you linked an ACML .so.
If you use gfortran OpenMP options (which are available only in gfortran since 4.2), along with MKL threaded support, you will need to link libiomp5, which may not have been released at the time of your old MKL. gfortran support is better in current MKL.
If you use gfortran OpenMP options (which are available only in gfortran since 4.2), along with MKL threaded support, you will need to link libiomp5, which may not have been released at the time of your old MKL. gfortran support is better in current MKL.
I tested it with ldd gamess.01.x and output is
ldd gamess.01.x
libpthread.so.0 => /lib64/tls/libpthread.so.0 (0x0000003703300000)
libmkl_lapack.so => not found
libmkl.so => /opt/intel/mkl/9.0/lib/em64t/libmkl.so (0x0000002a9557f000)
libguide.so => /opt/intel/mkl/9.0/lib/em64t/libguide.so (0x0000002a95730000)
libm.so.6 => /lib64/tls/libm.so.6 (0x0000003702f00000)
libc.so.6 => /lib64/tls/libc.so.6 (0x0000003bf2100000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x0000003bf4e00000)
libdl.so.2 => /lib64/libdl.so.2 (0x0000003bf2600000)
/lib64/ld-linux-x86-64.so.2 (0x0000003bf1f00000)
all the required libraries it is getting but only libmkl_lapack.so is not getting.

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