CP2k 3.0 compile error with mkl and intel mpi

Zhaoyang Zheng zhengzh... at gmail.com
Sat Aug 27 06:58:42 UTC 2016


Dear all,

When I'm trying to compile CP2K 3.0 by using intel mpi and mkl, one error 
occur like this:

/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mkl_blacs_memory.o): 
In function `mkl_blacs_malloc':
mkl_blacs_memory.c.text+0x8d): undefined reference to 
`mkl_serv_iface_malloc'
mkl_blacs_memory.c.text+0xec): undefined reference to `mkl_serv_iface_free'
/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mklmpi-impl.o): 
In function `MKLMPI_Type_create_struct':
mklmpi-impl.c.text+0x3eae): undefined reference to `MKL_calloc'
mklmpi-impl.c.text+0x3ec0): undefined reference to `MKL_calloc'
/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mklmpi-impl.o): 
In function `MKLMPI_Waitall':
mklmpi-impl.c.text+0x4768): undefined reference to `MKL_calloc'
mklmpi-impl.c.text+0x4994): undefined reference to `MKL_calloc'
/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mklmpi-impl.o): 
In function `MKLMPI_Waitany':
mklmpi-impl.c.text+0x4de7): undefined reference to `MKL_calloc'
/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mkl_blacs_memory.o): 
In function `mkl_blacs_malloc':
mkl_blacs_memory.c.text+0x8d): undefined reference to 
`mkl_serv_iface_malloc'
mkl_blacs_memory.c.text+0xec): undefined reference to `mkl_serv_iface_free'
/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mklmpi-impl.o): 
In function `MKLMPI_Type_create_struct':
mklmpi-impl.c.text+0x3eae): undefined reference to `MKL_calloc'
mklmpi-impl.c.text+0x3ec0): undefined reference to `MKL_calloc'
/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mklmpi-impl.o): 
In function `MKLMPI_Waitall':
mklmpi-impl.c.text+0x4768): undefined reference to `MKL_calloc'
mklmpi-impl.c.text+0x4994): undefined reference to `MKL_calloc'
/home-gg/compiler/intel2016/compilers_and_libraries_2016.3.210/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a(mklmpi-impl.o): 
In function `MKLMPI_Waitany':
mklmpi-impl.c.text+0x4de7): undefined reference to `MKL_calloc'
make[3]: *** 
[/home-gg/users/nscc1657_ZZY/software/cp2k-3.0/exe/Linux-x86-64-intel-host/cp2k.popt] 
错误 1
make[3]: *** 正在等待未完成的任务....
make[3]: *** 
[/home-gg/users/nscc1657_ZZY/software/cp2k-3.0/exe/Linux-x86-64-intel-host/cp2k_shell.popt] 
错误 1
make[2]: *** [all] 错误 2
make[1]: *** [popt] 错误 2
make: *** [all] 错误 2

Can anyone help me solve this problem? Thanks.

Zhaoyang 
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