From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Wed, 23 Mar 2016 02:41:17 +0000 (+0100)
Subject: wham thermal format $ correction for gfortran
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=af92d6e287b870d006a9eddd64db784679bbf10a

wham thermal format $ correction for gfortran
---

diff --git a/ctest/wham_check.sh b/ctest/wham_check.sh
index 5dc8011..79d9614 100755
--- a/ctest/wham_check.sh
+++ b/ctest/wham_check.sh
@@ -35,7 +35,7 @@ echo 'average rms for T<260 ' $rms
   error=1
  fi
 
- if [ error != "0" ];then
+ if [ "$error" != "0" ];then
    exit 1
  fi
  
\ No newline at end of file
diff --git a/source/wham/src-M/wham_calc1.F b/source/wham/src-M/wham_calc1.F
index 15d6716..2e432b7 100644
--- a/source/wham/src-M/wham_calc1.F
+++ b/source/wham/src-M/wham_calc1.F
@@ -92,6 +92,7 @@ c      parameter (MaxHdim=200000)
       character*2 licz2
       character*3 licz3
       character*128 nazwa
+      character*30 frm_write
       integer ilen
       external ilen
  
@@ -1104,8 +1105,10 @@ c            write (iout,*) "ftbis",ftbis
         write (iout,*) 
         write (34,'(f7.1,2f15.5,$)') startGridT+i*delta_T,
      &   sumW(i,iparm),sumE(i,iparm)
-        write (34,'(f10.5,$)') (sumQ(j,i,iparm),j=1,nQ+2)
-        write (34,'(e15.5,$)') sumEsq(i,iparm)-sumEbis(i,iparm),
+        write(frm_write,'( "(",i3,"e15.5,$)" )' ) nQ+2
+        write (34,frm_write) (sumQ(j,i,iparm),j=1,nQ+2)
+        write(frm_write,'( "(",i3,"e15.5,$)" )' ) (nQ+2)*2+1
+        write (34,frm_write) sumEsq(i,iparm)-sumEbis(i,iparm),
      &   (sumQsq(j,i,iparm),j=1,nQ+2),(sumEQ(j,i,iparm),j=1,nQ+2)
         write (34,*) 
         call flush(34)
diff --git a/source/wham/src/wham_calc1.F b/source/wham/src/wham_calc1.F
index 868d34a..3146448 100644
--- a/source/wham/src/wham_calc1.F
+++ b/source/wham/src/wham_calc1.F
@@ -92,6 +92,7 @@ c      parameter (MaxHdim=200000)
       character*2 licz2
       character*3 licz3
       character*128 nazwa
+      character*30 frm_write
       integer ilen
       external ilen
       write(licz2,'(bz,i2.2)') islice
@@ -1381,8 +1382,10 @@ c        write (iout,*) "i",i," potEmin",potEmin
         write (iout,*) 
         write (34,'(f7.1,2f15.5,$)') startGridT+i*delta_T,
      &   sumW(i,iparm),sumE(i,iparm)
-        write (34,'(f10.5,$)') (sumQ(j,i,iparm),j=1,nQ+2)
-        write (34,'(e15.5,$)') sumEsq(i,iparm)-sumEbis(i,iparm),
+        write(frm_write,'( "(",i3,"e15.5,$)" )' ) nQ+2
+        write (34,frm_write) (sumQ(j,i,iparm),j=1,nQ+2)
+        write(frm_write,'( "(",i3,"e15.5,$)" )' ) (nQ+2)*2+1
+        write (34,frm_write) sumEsq(i,iparm)-sumEbis(i,iparm),
      &   (sumQsq(j,i,iparm),j=1,nQ+2),(sumEQ(j,i,iparm),j=1,nQ+2)
         write (34,*) 
       enddo