Amber最小化时报错Fortran runtime error: End of file

流卡瓦 · 发表于 Post on 2022-8-23 10:23:19

我在安装完amber后，按照教程进行操作，在运行最小化时报错如下：

(base) yaohua@yaohua:~/data/nqy/amber/tutorial$ sander -O -i 01_Min.in -o 01_Min.out -p parm7 -c rst7 -r 01_Min.ncrst \
> -inf 01_Min.mdinfo
At line 771 of file /home/yaohua/Downloads/amber20_src/AmberTools/src/sander/mdread1.F90 (unit = 5, file = '01_Min.in')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x147900b38d21 in ???
#1  0x147900b39869 in ???
#2  0x147900b3a54f in ???
#3  0x147900d7dc5b in ???
#4  0x147900d7ef3c in ???
#5  0x147900d81a9e in ???
#6  0x147900d81d0c in ???
#7  0x147900d81e67 in ???
#8  0x55ff2959d553 in ???
#9  0x55ff2956c4b0 in ???
#10  0x55ff2956b53c in ???
#11  0x55ff2956b598 in ???
#12  0x14790092f082 in __libc_start_main
      at ../csu/libc-start.c:308
#13  0x55ff293b7d5d in ???
#14  0xffffffffffffffff in ???

请问是什么原因造成的，我该如何解决。

casea · 发表于 Post on 2022-8-23 11:27:07

看报错，可能是你的输入文件有问题看看是不是少了/

Frozen-Penguin · 发表于 Post on 2022-8-23 11:28:16

可以试试用dos2unix命令处理in文件，以及在in文件开头和结尾空一行

流卡瓦 · 发表于 Post on 2022-8-24 11:16:34

谢谢两位的提醒，问题已经解决了，in文件结尾需要空一行

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[Amber] Amber最小化时报错Fortran runtime error: End of file