Task 38612327

Name MCL1_A14_A04_r0_4-QUICO_ATM_OpenFF_MCL1-3-6-RND2600_0
Workunit 31564948
Created 16 Apr 2026, 5:47:07 UTC
Sent 16 Apr 2026, 5:47:11 UTC
Report deadline 21 Apr 2026, 5:47:11 UTC
Received 16 Apr 2026, 9:13:36 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652012
Run time 1 min 15 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 2,143.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 49.78 MB
Peak swap size 38.61 MB
Peak disk usage 1.54 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (0) - exit code 195 (0xc3)</message>
<stderr_txt>
12:48:53 (1880): wrapper (7.9.26016): starting
12:48:53 (1880): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A04_0.pdb
QB_A14_A04_0.xml
QB_A14_A04.inpcrd
QB_A14_A04_input.yaml
QB_A14_A04.pdb
QB_A14_A04.prmtop
QB_A14_A04_sys.xml
run.bat
run.sh
12:48:54 (1880): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:48:54 (1880): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002431FD5A610>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002431FD64710>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002431FD65190>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002431FD65A50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002431FD66350>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001F0F89CD150>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001F0F89CE950>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001F0F89CF390>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001F0F89CFF50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001F0F89DCB90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
ERROR: Could not find a version that satisfies the requirement atom-openmm (from versions: none)
ERROR: No matching distribution found for atom-openmm
python.exe: can't open file 'D:\\BOINCDATA\\slots\\1\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
12:49:19 (1880): C:/Windows/system32/cmd.exe exited; CPU time 1.968750
12:49:19 (1880): app exit status: 0x16
12:49:19 (1880): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 387431 bytes.
Dumping objects ->
{3835306} normal block at 0x000001E169D86210, 48 bytes long.
 Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835295} normal block at 0x000001E16B963A50, 32 bytes long.
 Data: <HOME=D:\BOINCDAT> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835284} normal block at 0x000001E16B963F90, 32 bytes long.
 Data: <TMP=D:\BOINCDATA> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 41 
{3835273} normal block at 0x000001E16B963810, 32 bytes long.
 Data: <TEMP=D:\BOINCDAT> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835262} normal block at 0x000001E16B9635D0, 32 bytes long.
 Data: <TMPDIR=D:\BOINCD> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 44 
{3835231} normal block at 0x000001E169D858E0, 48 bytes long.
 Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835220} normal block at 0x000001E16B824260, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835217} normal block at 0x000001E169D57040, 8 bytes long.
 Data: <  &#207;i&#225;   > 00 00 CF 69 E1 01 00 00 
{3834576} normal block at 0x000001E16B8248F0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001E169D56E60, 8 bytes long.
 Data: <&#160;s&#150;k&#225;   > A0 73 96 6B E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001E169D614D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E169D45C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001E169D62600, 16 bytes long.
 Data: <&#200;5&#214;i&#225;           > C8 35 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E169D62470, 16 bytes long.
 Data: <&#160;5&#214;i&#225;           > A0 35 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E169D5CA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001E169D625B0, 16 bytes long.
 Data: <x5&#214;i&#225;           > 78 35 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E169D62510, 16 bytes long.
 Data: <P5&#214;i&#225;           > 50 35 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E169D62560, 16 bytes long.
 Data: <(5&#214;i&#225;           > 28 35 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E169D62CE0, 16 bytes long.
 Data: < 5&#214;i&#225;           > 00 35 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E169D5B380, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001E169D623D0, 16 bytes long.
 Data: <&#200;[&#212;i&#225;           > C8 5B D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E169D5CB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001E169D62C90, 16 bytes long.
 Data: <&#160;[&#212;i&#225;           > A0 5B D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E169D62EC0, 16 bytes long.
 Data: <x[&#212;i&#225;           > 78 5B D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E169D63050, 16 bytes long.
 Data: <P[&#212;i&#225;           > 50 5B D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E169D624C0, 16 bytes long.
 Data: <([&#212;i&#225;           > 28 5B D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E169D62BF0, 16 bytes long.
 Data: < [&#212;i&#225;           > 00 5B D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E169D62BA0, 16 bytes long.
 Data: <&#216;Z&#212;i&#225;           > D8 5A D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E169D5CF80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001E169D62B00, 16 bytes long.
 Data: <&#176;Z&#212;i&#225;           > B0 5A D4 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E169D45AB0, 320 bytes long.
 Data: < +&#214;i&#225;    &#207;&#213;i&#225;   > 00 2B D6 69 E1 01 00 00 80 CF D5 69 E1 01 00 00 
{269} normal block at 0x000001E169D62F10, 16 bytes long.
 Data: <&#224;4&#214;i&#225;           > E0 34 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E169D62AB0, 16 bytes long.
 Data: <&#184;4&#214;i&#225;           > B8 34 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E169D5C7A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001E169D62740, 16 bytes long.
 Data: < 4&#214;i&#225;           > 90 34 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E169D5C800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001E169D63140, 16 bytes long.
 Data: <&#216;3&#214;i&#225;           > D8 33 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E169D62D80, 16 bytes long.
 Data: <&#176;3&#214;i&#225;           > B0 33 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E169D62920, 16 bytes long.
 Data: < 3&#214;i&#225;           > 88 33 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E169D62330, 16 bytes long.
 Data: <`3&#214;i&#225;           > 60 33 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E169D62B50, 16 bytes long.
 Data: <83&#214;i&#225;           > 38 33 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E169D62380, 16 bytes long.
 Data: < 3&#214;i&#225;           > 10 33 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E169D629C0, 16 bytes long.
 Data: <&#224;&#176;&#213;i&#225;           > E0 B0 D5 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E169D5B0E0, 40 bytes long.
 Data: <&#192;)&#214;i&#225;   &#224;X&#216;i&#225;   > C0 29 D6 69 E1 01 00 00 E0 58 D8 69 E1 01 00 00 
{255} normal block at 0x000001E169D62790, 16 bytes long.
 Data: <&#240;2&#214;i&#225;           > F0 32 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E169D63230, 16 bytes long.
 Data: <&#200;2&#214;i&#225;           > C8 32 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E169D5D100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001E169D62880, 16 bytes long.
 Data: <&#160;2&#214;i&#225;           > A0 32 D6 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001E169D632A0, 992 bytes long.
 Data: < (&#214;i&#225;    &#209;&#213;i&#225;   > 80 28 D6 69 E1 01 00 00 00 D1 D5 69 E1 01 00 00 
{87} normal block at 0x000001E169D5D1C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001E169D56FA0, 16 bytes long.
 Data: <p&#183;&#213;i&#225;           > 70 B7 D5 69 E1 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001E169D5B770, 40 bytes long.
 Data: <&#160;o&#213;i&#225;   &#192;&#209;&#213;i&#225;   > A0 6F D5 69 E1 01 00 00 C0 D1 D5 69 E1 01 00 00 
{64} normal block at 0x000001E169D57220, 16 bytes long.
 Data: < &#234;&#208;&#250;&#246;           > 80 EA D0 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E169D571D0, 16 bytes long.
 Data: <@&#233;&#208;&#250;&#246;           > 40 E9 D0 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E169D56FF0, 16 bytes long.
 Data: <&#248;W&#205;&#250;&#246;           > F8 57 CD FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E169D56C30, 16 bytes long.
 Data: <&#216;W&#205;&#250;&#246;           > D8 57 CD FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E169D56D70, 16 bytes long.
 Data: <P &#205;&#250;&#246;           > 50 04 CD FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E169D56730, 16 bytes long.
 Data: <0 &#205;&#250;&#246;           > 30 04 CD FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E169D57180, 16 bytes long.
 Data: <&#224; &#205;&#250;&#246;           > E0 02 CD FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E169D56E10, 16 bytes long.
 Data: <  &#205;&#250;&#246;           > 10 04 CD FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E169D564B0, 16 bytes long.
 Data: <p &#205;&#250;&#246;           > 70 04 CD FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E169D56F00, 16 bytes long.
 Data: < &#192;&#203;&#250;&#246;           > 18 C0 CB FA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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