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bjmaowei25

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[求助] 求助：VASP 安装

本人现在在安装VASP4.6 版的过程中，在vasp 4.6 make 过程中出现的问题

./preprocess base.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc -DMPI_BLOCK=500 -DRPROMU_DGEMV -DRACCMU_DGEMV
mpif90 -FR -lowercase -assume byterecl -O3 -xW -tpp7 -c base.f90
gfortran: error: byterecl: No such file or directory
gfortran: error: unrecognized option ‘-assume’
gfortran: error: unrecognized option ‘-tpp7’
make: *** [base.o] Error 1

不知道哪位高手能知道其中的原因，希望能告知，先谢谢了！
其中在vasp.4.lib$ make中
libdmy.a 已经得到。

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追求真理

1楼 2012-01-02 20:27:43

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

bjmaowei25

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引用回帖:

楼: Originally posted by liliangfang at 2012-01-07 08:06:16:
FC=ifort
OFLAG=-O3

谢谢你的回复，根据你的意识改后，就变成这样的错误了：

[mao@localhost vasp.4.6]$ gedit makefile
[mao@localhost vasp.4.6]$ make
./preprocess lattlib.f90 -DMPI  -DHOST=\"LinuxIFC_ath\" -DIFC -Dkind8 -DNGZhalf -DCACHE_SIZE=2000 -DPGF90 -Davoidalloc -DRPROMU_DGEMV
mpif90 -FR -lowercase -e95 -c lattlib.f90
ifort: command line remark #10010: option '-lowercase' is deprecated and will be removed in a future release. See '-help deprecated'
lattlib.f90(196): error #7342: The computed GOTO statement is an obsolescent feature in Fortran 95.
   GOTO (2,4,6,8,10,12,14,16,18,20,22,24,26,28,30) IBRAV
------^
lattlib.f90(711): error #5113: Extension to FORTRAN-90: tab formatting
            CELLDM(5)=(A3XA2*ABS2*ABS3+A3XA1*ABS1*ABS3)/ABS2P1/ABS3
---------------------------------------------------------------------^
lattlib.f90(1372): error #6033: Sharing of a DO termination statement by more than one DO statement is an obsolescent feature in Fortran 95.  Use an END DO or CONTINUE statement for each DO statement. [300]
  300 CONTINUE
--^
lattlib.f90(1790): error #6028: DO termination on a statement other than an END DO or CONTINUE is an obsolescent feature in Fortran 95.
1 WRK(IA,I)=TAU(INDEX(IA),I)
----^
lattlib.f90(1790): error #6033: Sharing of a DO termination statement by more than one DO statement is an obsolescent feature in Fortran 95.  Use an END DO or CONTINUE statement for each DO statement. [1]
1 WRK(IA,I)=TAU(INDEX(IA),I)
----^
lattlib.f90(1793): error #6028: DO termination on a statement other than an END DO or CONTINUE is an obsolescent feature in Fortran 95.
2 TAU(IA,I)=WRK(IA,I)
----^
lattlib.f90(1793): error #6033: Sharing of a DO termination statement by more than one DO statement is an obsolescent feature in Fortran 95.  Use an END DO or CONTINUE statement for each DO statement. [2]
2 TAU(IA,I)=WRK(IA,I)
----^
lattlib.f90(1822): error #6028: DO termination on a statement other than an END DO or CONTINUE is an obsolescent feature in Fortran 95.
4 INDEX(NBEG+I)=INDEX(NBEG+I)+NBEG-1
----^
lattlib.f90(1832): error #6028: DO termination on a statement other than an END DO or CONTINUE is an obsolescent feature in Fortran 95.
7    TAU(INDEX(ICURR),K)=TEMP
----^
lattlib.f90(1865): error #6028: DO termination on a statement other than an END DO or CONTINUE is an obsolescent feature in Fortran 95.
9       INDEX(IBEG+I)=INDEX(IBEG+I)+IBEG-1
----^
lattlib.f90(1881): error #6028: DO termination on a statement other than an END DO or CONTINUE is an obsolescent feature in Fortran 95.
13    TAU(INDEX(ICURR),K)=TEMP
---^
lattlib.f90(1899): error #6028: DO termination on a statement other than an END DO or CONTINUE is an obsolescent feature in Fortran 95.
15 INDEX(IA)=NINT(WRK(IA,3))
---^
lattlib.f90(2424): error #6033: Sharing of a DO termination statement by more than one DO statement is an obsolescent feature in Fortran 95.  Use an END DO or CONTINUE statement for each DO statement. [13]
13 CONTINUE
---^
compilation aborted for lattlib.f90 (code 1)
make: *** [lattlib.o] Error 1