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您好!
感谢您精彩的代码,我目前运行的时候出现了一个小问题,烦请您抽空查看一下。就是我直接在服务器运行动力学模拟相关的Python文件时是没有问题的,但是我一旦nohup python之后就会出现如下报错:RuntimeError: Amber or AmberTools is not installed or not in PATH. 由于后续超算上面不能直接在登录节点直接运行相关python命令,还是需要进行nohup后台挂起;请问这个问题应该如何解决呢?
The text was updated successfully, but these errors were encountered:
您提到的错误RuntimeError: Amber or AmberTools is not installed or not in PATH.是因为当前的shell环境中,pyCADD未能找到Amber/AmberTools相关二进制可执行文件,这通常可能是因为运行Amber任务前未执行过source $AMBERHOME/amber.sh导致的(AMBERHOME为您的amber安装目录)。
您好!
感谢您精彩的代码,我目前运行的时候出现了一个小问题,烦请您抽空查看一下。就是我直接在服务器运行动力学模拟相关的Python文件时是没有问题的,但是我一旦nohup python之后就会出现如下报错:RuntimeError: Amber or AmberTools is not installed or not in PATH. 由于后续超算上面不能直接在登录节点直接运行相关python命令,还是需要进行nohup后台挂起;请问这个问题应该如何解决呢?
The text was updated successfully, but these errors were encountered: