Openmx3.9 installation error with intel oneapi 2025 version |
- Date: 2025/01/29 20:05
- Name: SANTU BAIDYA
- I have tried to install openmx3.9 on Ubuntu 22.04 LTS using intel oneapi 2025 latest version.
My makefile has the following
MKLROOT = /opt/intel/oneapi/mkl/2025.0/
CC = mpiicx -O3 -xHOST -qopenmp -I${MKLROOT}/include -I/opt/intel/oneapi/mkl/2025.0/include/fftw/
FC = mpiifx -O3 -xHOST -qopenmp
LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lifcore -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl
But I am getting error
mpiicx -O3 -xHOST -qopenmp -I/opt/intel/oneapi/mkl/2025.0//include -I/opt/intel/oneapi/mkl/2025.0/include/fftw/ -I./elpa-2018.05.001 -c XC_PBE.c
mpiicx -O3 -xHOST -qopenmp -I/opt/intel/oneapi/mkl/2025.0//include -I/opt/intel/oneapi/mkl/2025.0/include/fftw/ -I./elpa-2018.05.001 -c XC_EX.c
mpiicx -O3 -xHOST -qopenmp -I/opt/intel/oneapi/mkl/2025.0//include -I/opt/intel/oneapi/mkl/2025.0/include/fftw/ -I./elpa-2018.05.001 -c DFT.c
DFT.c:1960:7: error: call to undeclared library function 'strstr' with type 'char *(const char *, const char *)'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
1960 | if (strstr(nanchar,"nan")!=NULL || strstr(nanchar,"NaN")!=NULL
| ^
DFT.c:1960:7: note: include the header <string.h> or explicitly provide a declaration for 'strstr'
DFT.c:2522:15: error: call to undeclared function 'numroc_'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2522 | na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows);
| ^
DFT.c:2525:16: error: call to undeclared function 'Csys2blacs_handle'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2525 | bhandle2 = Csys2blacs_handle(MPI_CommWD2[myworld2]);
| ^
DFT.c:2527:5: error: call to undeclared function 'Cblacs_gridinit'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2527 | Cblacs_gridinit(&ictxt2, "Row", np_rows, np_cols);
| ^
DFT.c:2536:5: error: call to undeclared function 'descinit_'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2536 | descinit_(descS, &n, &n, &nblk, &nblk, &ZERO, &ZERO, &ictxt2, &na_rows, &info);
| ^
DFT.c:2694:5: error: call to undeclared function 'Cfree_blacs_system_handle'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2694 | Cfree_blacs_system_handle(bhandle2);
| ^
DFT.c:2695:5: error: call to undeclared function 'Cblacs_gridexit'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2695 | Cblacs_gridexit(ictxt2);
| ^
DFT.c:2905:15: error: call to undeclared function 'numroc_'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2905 | na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows);
| ^
DFT.c:2908:16: error: call to undeclared function 'Csys2blacs_handle'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2908 | bhandle2 = Csys2blacs_handle(MPI_CommWD2[myworld2]);
| ^
DFT.c:2910:5: error: call to undeclared function 'Cblacs_gridinit'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2910 | Cblacs_gridinit(&ictxt2, "Row", np_rows, np_cols);
| ^
DFT.c:2926:5: error: call to undeclared function 'descinit_'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
2926 | descinit_(descS, &n, &n, &nblk, &nblk, &ZERO, &ZERO, &ictxt2, &na_rows, &info);
| ^
DFT.c:3121:5: error: call to undeclared function 'Cfree_blacs_system_handle'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3121 | Cfree_blacs_system_handle(bhandle2);
| ^
DFT.c:3122:5: error: call to undeclared function 'Cblacs_gridexit'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3122 | Cblacs_gridexit(ictxt2);
| ^
DFT.c:3298:15: error: call to undeclared function 'numroc_'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3298 | na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows);
| ^
DFT.c:3301:16: error: call to undeclared function 'Csys2blacs_handle'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3301 | bhandle1 = Csys2blacs_handle(MPI_CommWD1[myworld1]);
| ^
DFT.c:3304:5: error: call to undeclared function 'Cblacs_gridinit'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3304 | Cblacs_gridinit(&ictxt1, "Row", np_rows, np_cols);
| ^
DFT.c:3312:5: error: call to undeclared function 'descinit_'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3312 | descinit_(descS, &n, &n, &nblk, &nblk, &ZERO, &ZERO, &ictxt1, &na_rows, &info);
| ^
DFT.c:3357:5: error: call to undeclared function 'Cfree_blacs_system_handle'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3357 | Cfree_blacs_system_handle(bhandle1);
| ^
DFT.c:3358:5: error: call to undeclared function 'Cblacs_gridexit'; ISO C99 and later do not support implicit function declarations [-Wimplicit-function-declaration]
3358 | Cblacs_gridexit(ictxt1);
| ^
fatal error: too many errors emitted, stopping now [-ferror-limit=]
20 errors generated.
make: *** [makefile:298: DFT.o] Error 1
Please help me with this installation.
Thank you.
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Re: Openmx3.9 installation error with intel oneapi 2025 version