<div dir="ltr">Thanks Prof. Blaha. The error msg in IRelast and lapwso are gone after modifying the source code. <div><br></div><div>As I mentioned in the previous email, I noticed some WARNING messages on the fly when compiling the codes in siteconfig. They were not reported in the "error" message at the end. I am wondering whether these WARNING would also affect the calculations. I have checked through the compile.msg in every SRC_xxx directory. I think that the WARNING is mainly due to the incompatibility in F77 and F95. For examples, the ASSIGN statement was not available in F95. I tried to comment in the codes for the lines like 'ASSIGN (2220) to iform1' and replaced iform1 by 2220 in the corresponding READ/WRITE format. This works fine. However, there are still some other kind of WARNING which I am not sure how to due with. They are listed at the end of the email (Sorry that the list is still a bit long even I have tried to summarize them). Any suggestions would be appreciated.</div><div><br></div><div>Thanks.</div><div>Fermin</div><div><br></div><div>List of WARNING:</div><div><p class=""><span lang="EN-US">-----------------------------------------------------------------</span></p><p class=""><span lang="EN-US">SRC_joint</span></p>
<p class=""><span lang="EN-US">opt1.f:57.21:</span></p>
<p class=""><span lang="EN-US">
COMMON /INTNEW/ V,EPS,BEGIN,STEP,PP,DOM,PIMEAN,AA,A0,BB,B0,PI0,G,G1,G2</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US">Warning: Named
COMMON block 'intnew' at (1) shall be of the same size</span></p>
</div>
<p class=""><span lang="EN-US">SRC_lapw1</span></p>
<p class=""><span lang="EN-US">select.f:233.9:</span></p>
<p class=""><span lang="EN-US">
DO EI=EA,EB,DDE</span></p>
<p class=""><span lang="EN-US">
1</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US">Warning: Deleted
feature: Loop variable at (1) must be integer</span></p>
</div>
<p class=""><span lang="EN-US">SRC_lapw7</span></p>
<p class=""><span lang="EN-US">main.frc_tmp_.f:458.32:</span></p>
<p class=""><span lang="EN-US">
assign 2220 to IFORM</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGN statement
at (1)</span></p>
<p class=""><span lang="EN-US">main.frc_tmp_.f:460.32:</span></p>
<p class=""><span lang="EN-US">
assign 2230 to IFORM</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGN statement
at (1)</span></p>
<p class=""><span lang="EN-US">main.frc_tmp_.f:667.20:</span></p>
<p class=""><span lang="EN-US">
WRITE(2,IFORM)IEABS,E</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGNED variable
in FORMAT tag at (1)</span></p>
<p class=""><span lang="EN-US">main.frc_tmp_.f:686.20:</span></p>
<p class=""><span lang="EN-US">
WRITE(2,IFORM)IEABS,E,DATMIN,DATMAX</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US">Warning: Deleted
feature: ASSIGNED variable in FORMAT tag at (1)</span></p>
</div>
<p class=""><span lang="EN-US">SRC_lcore</span></p>
<p class=""><span lang="EN-US">insld.f:21.9:</span></p>
<p class=""><span lang="EN-US">
,4HG /
</span></p>
<p class=""><span lang="EN-US">
1</span></p>
<p class=""><span lang="EN-US">Warning: Extension: Hollerith constant at
(1)</span></p>
<p class=""><span lang="EN-US"> </span></p>
<p class=""><span lang="EN-US">insld.f:20.19:</span></p>
<p class=""><span lang="EN-US">
DATA TTIRE/4HS ,4HP* ,4HP
,4HD* ,4HD ,4HF*
,4HF ,4HG* &</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US">Warning:
Extension: Conversion from HOLLERITH to REAL(8) at (1)</span></p>
</div>
<p class=""><span lang="EN-US">SRC_mini</span></p>
<p class=""><span lang="EN-US">port.inc:3.22:</span></p>
<p class=""><span lang="EN-US">
Included at nn.f:9:</span></p>
<p class=""><span lang="EN-US"> </span></p>
<p class=""><span lang="EN-US">
common /port3/touchoffset,modeused,trustrad</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Padding of 4 bytes required before
'trustrad' in COMMON 'port3' at (1); reorder elements or use -
fno-align-commons</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US"> </span></p>
</div>
<p class=""><span lang="EN-US">SRC_mixer</span></p>
<p class=""><span lang="EN-US">RegM2.F:111.12:</span></p>
<p class=""><span lang="EN-US">
DO DT=DHIGH,DLOW,DSTEP</span></p>
<p class=""><span lang="EN-US">
1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: Loop variable at
(1) must be integer</span></p>
<p class=""><span lang="EN-US"> </span></p>
<p class=""><span lang="EN-US">TrustStep.F:159.4:</span></p>
<p class=""><span lang="EN-US">1100 continue</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">TrustStep.F:266.26:</span></p>
<p class=""><span lang="EN-US"> GOTO 1100</span></p>
<p class=""><span lang="EN-US"> 2</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US">Warning: Label at
(1) is not in the same block as the GOTO statement at (2)</span></p>
</div>
<p class=""><span lang="EN-US">SRC_nmr</span></p>
<p class=""><span lang="EN-US">make_alms_tmp_.F:349.18:</span></p>
<p class=""><span lang="EN-US"> do mj=-jcore,jcore+0.00001d0</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US">Warning: Deleted
feature: Loop variable at (1) must be integer</span></p>
</div>
<p class=""><span lang="EN-US">SRC_structeditor</span></p>
<p class=""><span lang="EN-US">ludcmp.f:18.59:</span></p>
<p class=""><span lang="EN-US">
IF (AAMAX.EQ.ZERO) PAUSE 'LUDCMP: SINGULAR MATRIX'</span></p>
<p class=""><span lang="EN-US">
1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: PAUSE statement at
(1)</span></p>
<p class=""><span lang="EN-US"> </span></p>
<p class=""><span lang="EN-US">pov.f:326.21:</span></p>
<p class=""><span lang="EN-US">
assign 3 to iform1</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGN statement
at (1)</span></p>
<p class=""><span lang="EN-US">pov.f:327.38:</span></p>
<p class=""><span lang="EN-US"> if
(iatfin.eq.1) assign 1 to iform1</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGN statement
at (1)</span></p>
<p class=""><span lang="EN-US">pov.f:328.38:</span></p>
<p class=""><span lang="EN-US"> if
(iatfin.eq.2) assign 2 to iform1</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGN statement
at (1)</span></p>
<p class=""><span lang="EN-US">pov.f:329.38:</span></p>
<p class=""><span lang="EN-US"> if
(iatfin.eq.3) assign 3 to iform1</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGN statement
at (1)</span></p>
<p class=""><span lang="EN-US"> </span></p>
<p class=""><span lang="EN-US">pov.f:351.11:</span></p>
<p class=""><span lang="EN-US">
write(2,iform1) ' #declare F_atoms = finish {','}'</span></p>
<p class=""><span lang="EN-US">
1</span></p>
<p class=""><span lang="EN-US">Warning: Deleted feature: ASSIGNED variable
in FORMAT tag at (1)</span></p>
<p class=""><span lang="EN-US">pov.f:354.14:</span></p>
<p class=""><span lang="EN-US">
write(2,iform2) ' #declare F_mag = finish {','}'</span></p>
<p class=""><span lang="EN-US"> </span></p>
<p class=""><span lang="EN-US">param.inc:6.18:</span></p>
<p class=""><span lang="EN-US">
Included at spacegroup.f:7:</span></p>
<p class=""><span lang="EN-US">
common/symm/
ns,ncs,NcSym,nvt,mr6(36,mxsym),rm6(36,mxsym), &</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">Warning: Padding of 4 bytes required before
'shiftsg' in COMMON 'symm' at (1); reorder elements or use -fn o-align-commons</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US"> </span></p>
</div>
<p class=""><span lang="EN-US">SRC_telnes3/compile.msg</span></p>
<p class=""><span lang="EN-US">normofradialfunctions.f:53.7:</span></p>
<p class=""><span lang="EN-US">
' | = ', F10.8,'< 10^-12')</span></p>
<p class=""><span lang="EN-US">
1</span></p>
<p class=""><span lang="EN-US">Warning: Extension: Tab character in format
at (1)</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US"> </span></p>
</div>
<p class=""><span lang="EN-US">SCR_tetra</span></p>
<p class=""><span lang="EN-US">tetra.f:177.75:</span></p>
<p class=""><span lang="EN-US"> 777 read(108,'(3e19.10,i10,6x,i6)',err=777,end=999)
xk,xk,zk,numk,ne</span></p>
<p class=""><span lang="EN-US">
1</span></p>
<p class=""><span lang="EN-US">Warning: Branch at (1) may result in an
infinite loop</span></p>
<div style="border-style:none none solid;border-bottom-color:black;border-bottom-width:1pt;padding:0cm">
<p class="" style="border:none;padding:0cm"><span lang="EN-US"> </span></p>
</div>
<p class=""><span lang="EN-US"> </span></p>
<p class=""><span lang="EN-US">SRC_wplot</span></p>
<p class=""><span lang="EN-US">main.F:586.3:</span></p>
<p class=""><span lang="EN-US">340
READ(unit_vector,IOSTAT=IERR) IE,E,IEABS</span></p>
<p class=""><span lang="EN-US"> 1</span></p>
<p class=""><span lang="EN-US">main.F:542.32:</span></p>
<p class=""><span lang="EN-US">
IF(.NOT.KFOUND) GOTO 340</span></p>
<p class=""><span lang="EN-US"> 2</span></p>
<p class=""><span lang="EN-US">Warning: Label at (1) is not in the same
block as the GOTO statement at (2)</span></p></div></div>