Chengcheng-Xiao / VASP2WAN90_v2_fix

An updated version of the VASP2WANNIER90v2 interface
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Error while recompling the vasp after adding the patch in vasp.5.4.4pl2 #24

Closed hcut closed 1 week ago

hcut commented 2 weeks ago

Hi,

I am getting the following error after following the instructions as suggested by you. Pl help

     make[2]: Entering directory '/home/simulations/vasp.5.4.4.pl2/build/std'
     mpif90 -ffree-form -ffree-line-length-none -w -O2 -I/usr/include -c wave_high.f90
     wave_high.f90:1510:36:

     1510 |     CALL  M_sum_d(W%WDES1%COMM_INB, WFMAG, 1)
     |                                    1
     ......
    1580 |     CALL  M_sum_d(W1%WDES1%COMM_INB, CWFMAG, 2)
     |                                     2
   Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
   wave_high.f90:1408:36:

  1408 |     CALL  M_sum_d(W%WDES1%COMM_INB, WFMAG, 1)
  |                                    1
  ......
  1580 |     CALL  M_sum_d(W1%WDES1%COMM_INB, CWFMAG, 2)
  |                                     2
  Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
  wave_high.f90:844:43:

  832 |             &           2* WA%WDES1%NRPLWV, W1%CPTWFP(1) , 1 , 0._q,  CTMP(1), 1)
  |                                            2
  ......
  844 |                &           WA%WDES1%NPROD, CRESUL , 1 , 1._q,  CTMP(1), 1)
  |                                           1
  Error: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1)
  wave_high.f90:847:43:

  847 |                &           WA%WDES1%NPROD, CRESUL , 1 , (1._q,0._q),  CTMP(1), 1)
  |                                           1
  ......
 1262 |          &              W%WDES%NRPLWV, W1%CPTWFP(1) , 1 , (0._q,0._q) ,  CPRO(1), 1)
  |                                       2    
 Error: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1)
 wave_high.f90:852:37:

 852 |     CALL  M_sum_z(WA%WDES1%COMM_INB, CTMP, SIZE(WA%CPTWFP,2))
  |                                     1
 ......
 1638 |     CALL  M_sum_z(W1%WDES1%COMM_INB, CSCPD, 1)
  |                                     2
 Error: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1)
 wave_high.f90:530:32:

 530 |     CALL DAXPY( W1%WDES1%NPL*2, SCALE, W1%CPTWFP(1), 1, W2%CPTWFP(1), 1)
   |                                1
 ......
 1642 |        CALL DAXPY(W1%WDES1%NPRO,-CSCPD,W2%CPROJ(1),1,W1%CPROJ(1),1)
  |                                2
 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
wave_high.f90:533:34:

 533 |        CALL DAXPY( W1%WDES1%NPRO, SCALE, W1%CPROJ(1), 1,  W2%CPROJ(1), 1)
  |                                  1
 ......
 1642 |        CALL DAXPY(W1%WDES1%NPRO,-CSCPD,W2%CPROJ(1),1,W1%CPROJ(1),1)
   |                                2  
 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
 wave_high.f90:535:36:

  535 |        CALL DAXPY( W1%WDES1%NPRO*2, SCALE, W1%CPROJ(1),  1, W2%CPROJ(1), 1)
   |                                    1
......
1642 |        CALL DAXPY(W1%WDES1%NPRO,-CSCPD,W2%CPROJ(1),1,W1%CPROJ(1),1)
  |                                2    
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).  
  wave_high.f90:545:61:

 545 |        CALL DAXPY( W1%WDES1%GRID%MPLWV*W1%WDES1%NRSPINORS*2, SCALE, W1%CR(1), 1,           W2%CR(1), 1)
  |                                                             1
  ......
 1642 |        CALL DAXPY(W1%WDES1%NPRO,-CSCPD,W2%CPROJ(1),1,W1%CPROJ(1),1)
  |                                2                             
 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
 wave_high.f90:3169:33:

  2322 |              CALL ZCOPY( WDESAUX%GRID%MPLWV*WDESAUX%NRSPINORS, WAUX%CR(1), 1,     WF(N_INTO_TOT-NB1+1,IK)%CR(1), 1)
  |                                                               2
  ......
   3169 |     CALL ZCOPY( W1%WDES1%NRPLWV, C, 1, W1%CPTWFP(1), 1)
  |                                 1
  Error: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1)
  wave_high.f90:3196:50:

   2322 |              CALL ZCOPY( WDESAUX%GRID%MPLWV*WDESAUX%NRSPINORS, WAUX%CR(1), 1,         WF(N_INTO_TOT-NB1+1,IK)%CR(1), 1)
  |                                                                              2
      ......
   3196 |     CALL ZCOPY( W1%WDES1%NRPLWV, W1%CPTWFP(1), 1, C, 1)
   |                                                  1
  Error: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1)
    make[2]: *** [makefile:169: wave_high.o] Error 1 
    make[2]: Leaving directory '/home/simulations/vasp.5.4.4.pl2/build/std'
     cp: cannot stat 'vasp': No such file or directory 
    make[1]: *** [makefile:142: all] Error 1 
    make[1]: Leaving directory '/home/simulations/vasp.5.4.4.pl2/build/std'
     make: *** [makefile:10: std] Error 2
Chengcheng-Xiao commented 2 weeks ago

Can you confirm that without the patch your toolchain (fortran compiler, math libs, etc...) works?

In the meantime, gfortran compiler flag -fallow-argument-mismatch might help.

Chengcheng-Xiao commented 1 week ago

Closed due to inactivity.