VASP compilation error

[Mazba]

I am using oneAPI basekit and HPCkit latest version I am getting the following error while compiling VASP -

if [ ! -d build/std ] ; then mkdir build/std ; fi; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
make[1]: Entering directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std'
makefile:153: target 'parser' given more than once in the same rule
rsync -ru ../../src/lib .
cp makefile.include lib
make -C lib -j1
make[2]: Entering directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/lib'
make libdmy.a
make[3]: Entering directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/lib'
fpp -f_com=no -free -w0 preclib.F preclib.f90
mpif90 -qopenmp -O1 -free -names lowercase -c -o preclib.o preclib.f90
ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now deprecated and will be discontinued late 2024. Intel recommends that customers transition now to using the LLVM-based Intel(R) Fortran Compiler (ifx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. Use '-diag-disable=10448' to disable this message.
icx -O -c -o timing_.o timing_.c
timing_.c:20:19: warning: a function declaration without a prototype is deprecated in all versions of C and is treated as a zero-parameter prototype in C23, conflicting with a previous declaration [-Wdeprecated-non-prototype]
20 | int getrusage();
| ^
/usr/include/x86_64-linux-gnu/sys/resource.h:89:12: note: conflicting prototype is here
89 | extern int getrusage (__rusage_who_t __who, struct rusage *__usage) __THROW;
| ^
timing_.c:33:28: warning: passing arguments to 'gettimeofday' without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
33 | dumerr = gettimeofday(&realtime,NULL);
| ^
timing_.c:10:6: warning: a function definition without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
10 | void timing_C(mode,utime,stime,now,minpgf,majpgf,maxrsize,avsize,swaps,ios,cswitch,ierr)
| ^
3 warnings generated.
icx -O -c -o derrf_.o derrf_.c
derrf_.c:7:8: warning: a function definition without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
7 | double errf_C(x)
| ^
derrf_.c:12:8: warning: a function definition without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
12 | double errfc_C(x)
| ^
2 warnings generated.
icx -O -c -o dclock_.o dclock_.c
dclock_.c:19:16: warning: a function declaration without a prototype is deprecated in all versions of C and is treated as a zero-parameter prototype in C23, conflicting with a previous declaration [-Wdeprecated-non-prototype]
19 | int getrusage();
| ^
/usr/include/x86_64-linux-gnu/sys/resource.h:89:12: note: conflicting prototype is here
89 | extern int getrusage (__rusage_who_t __who, struct rusage *__usage) __THROW;
| ^
dclock_.c:32:28: warning: passing arguments to 'gettimeofday' without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
32 | ierr = gettimeofday(&now,NULL);
| ^
dclock_.c:15:6: warning: a function definition without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
15 | void vtime_C(vputim,cputim)
| ^
dclock_.c:47:28: warning: passing arguments to 'gettimeofday' without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
47 | ierr = gettimeofday(&now,NULL);
| ^
dclock_.c:41:6: warning: a function definition without a prototype is deprecated in all versions of C and is not supported in C23 [-Wdeprecated-non-prototype]
41 | void vtime2_C(cputim)
| ^
5 warnings generated.
fpp -f_com=no -free -w0 diolib.F diolib.f90
mpif90 -qopenmp -O1 -free -names lowercase -c -o diolib.o diolib.f90
ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now deprecated and will be discontinued late 2024. Intel recommends that customers transition now to using the LLVM-based Intel(R) Fortran Compiler (ifx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. Use '-diag-disable=10448' to disable this message.
fpp -f_com=no -free -w0 dlexlib.F dlexlib.f90
mpif90 -qopenmp -O1 -free -names lowercase -c -o dlexlib.o dlexlib.f90
ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now deprecated and will be discontinued late 2024. Intel recommends that customers transition now to using the LLVM-based Intel(R) Fortran Compiler (ifx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. Use '-diag-disable=10448' to disable this message.
fpp -f_com=no -free -w0 drdatab.F drdatab.f90
mpif90 -qopenmp -O1 -free -names lowercase -c -o drdatab.o drdatab.f90
ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now deprecated and will be discontinued late 2024. Intel recommends that customers transition now to using the LLVM-based Intel(R) Fortran Compiler (ifx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. Use '-diag-disable=10448' to disable this message.
mpif90 -qopenmp -O1 -c linpack_double.f
ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now deprecated and will be discontinued late 2024. Intel recommends that customers transition now to using the LLVM-based Intel(R) Fortran Compiler (ifx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. Use '-diag-disable=10448' to disable this message.
rm -f libdmy.a
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o linpack_double.o
ar: creating libdmy.a
a - preclib.o
a - timing_.o
a - derrf_.o
a - dclock_.o
a - diolib.o
a - dlexlib.o
a - drdatab.o
a - linpack_double.o
make[3]: Leaving directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/lib'
make[2]: Leaving directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/lib'
rsync -ru ../../src/parser .
cp makefile.include parser
make -C parser -j1
make[2]: Entering directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/parser'
make libparser.a
make[3]: Entering directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/parser'
icpx -D YY_parse_DEBUG=1 -c sites.cpp -o sites.o
icpx -D YY_parse_DEBUG=1 -c functions.cpp -o functions.o
icpx -D YY_parse_DEBUG=1 -c radial.cpp -o radial.o
icpx -D YY_parse_DEBUG=1 -c basis.cpp -o basis.o
icpx -D YY_parse_DEBUG=1 -c lex.yy.c -o lex.yy.o
icpx: warning: treating 'c' input as 'c++' when in C++ mode, this behavior is deprecated [-Wdeprecated]
lex.yy.c:691:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
691 | register yy_state_type yy_current_state;
| ^~~~~~~~
lex.yy.c:692:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
692 | register char *yy_cp, *yy_bp;
| ^~~~~~~~
lex.yy.c:692:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
692 | register char *yy_cp, *yy_bp;
| ^~~~~~~~
lex.yy.c:693:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
693 | register int yy_act;
| ^~~~~~~~
lex.yy.c:741:4: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
741 | register YY_CHAR yy_c = yy_ec[YY_SC_TO_UI(*yy_cp)];
| ^~~~~~~~
lex.yy.c:1089:6: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1089 | register char *dest = YY_CURRENT_BUFFER_LVALUE->yy_ch_buf;
| ^~~~~~~~
lex.yy.c:1090:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1090 | register char *source = (yytext_ptr);
| ^~~~~~~~
lex.yy.c:1091:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1091 | register int number_to_move, i;
| ^~~~~~~~
lex.yy.c:1091:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1091 | register int number_to_move, i;
| ^~~~~~~~
lex.yy.c:1223:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1223 | register yy_state_type yy_current_state;
| ^~~~~~~~
lex.yy.c:1224:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1224 | register char *yy_cp;
| ^~~~~~~~
lex.yy.c:1230:3: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1230 | register YY_CHAR yy_c = (*yy_cp ? yy_ec[YY_SC_TO_UI(*yy_cp)] : 1);
| ^~~~~~~~
lex.yy.c:1255:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1255 | register int yy_is_jam;
| ^~~~~~~~
lex.yy.c:1256:6: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1256 | register char *yy_cp = (yy_c_buf_p);
| ^~~~~~~~
lex.yy.c:1258:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1258 | register YY_CHAR yy_c = 1;
| ^~~~~~~~
lex.yy.c:1276:33: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1276 | static void yyunput (int c, register char * yy_bp )
| ^~~~~~~~
lex.yy.c:1278:2: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1278 | register char *yy_cp;
| ^~~~~~~~
lex.yy.c:1288:3: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1288 | register yy_size_t number_to_move = (yy_n_chars) + 2;
| ^~~~~~~~
lex.yy.c:1289:3: error: ISO C++17 does not allow 'register' storage class specifier [-Wregister]
1289 | register char *dest = &YY_CURRENT_BUFFER_LVALUE->yy_ch_buf[
| ^~~~~~~~
fatal error: too many errors emitted, stopping now [-ferror-limit=]
20 errors generated.
make[3]: *** [makefile:28: lex.yy.o] Error 1
make[3]: Leaving directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/parser'
make[2]: *** [makefile:12: all] Error 2
make[2]: Leaving directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std/parser'
make[1]: *** [makefile:156: parser] Error 2
make[1]: Leaving directory '/home/ratul/vasp_cpu/vasp.6.1.0/build/std'
make: *** [makefile:6: std] Error 2

[andrew_4619]

I don't see any Fortran errors only errors C errors.....

[MehdiChinoune]

You are using a version of gcc that's not supported yet by Intel OneAPI compiler.

I have encountered the same issue on Ubunut 24.04 with gcc-13.

[NicoMittenzwey]

Just set

CXX_PARS = icpx -std=c++14

in your makefile.include to tell icpx to use C++14 instead of C++17