Task 38643133

Name shp2_A22_A13_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND6535_0
Workunit 31589747
Created 7 May 2026, 10:47:41 UTC
Sent 7 May 2026, 10:48:04 UTC
Report deadline 12 May 2026, 10:48:04 UTC
Received 7 May 2026, 16:25:07 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 650754
Run time 1 min 8 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 9,336.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 49.95 MB
Peak swap size 38.27 MB
Peak disk usage 1.42 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:47:18 (8704): wrapper (7.9.26016): starting
16:47:18 (8704): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A13_0.pdb
QB_A22_A13_0.xml
QB_A22_A13.inpcrd
QB_A22_A13_input.yaml
QB_A22_A13.pdb
QB_A22_A13.prmtop
QB_A22_A13_sys.xml
run.bat
run.sh
16:47:20 (8704): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:47:20 (8704): 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 0x00000213C395AD90>: 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 0x00000213C3964A10>: 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 0x00000213C3965310>: 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 0x00000213C3965BD0>: 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 0x00000213C3966510>: 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 0x00000242D78FDE90>: 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 0x00000242D78FE450>: 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 0x00000242D78FF190>: 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 0x00000242D78FFD50>: 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 0x00000242D7910990>: 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 'C:\\BOINCdata\\slots\\1\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
16:47:40 (8704): C:/Windows/system32/cmd.exe exited; CPU time 1.609375
16:47:40 (8704): app exit status: 0x16
16:47:40 (8704): 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: 233055 bytes.
Dumping objects ->
{3835229} normal block at 0x0000021D59396140, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835218} normal block at 0x0000021D5B0535B0, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835207} normal block at 0x0000021D5B052B90, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835196} normal block at 0x0000021D5B053850, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835185} normal block at 0x0000021D5B053250, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835154} normal block at 0x0000021D59395B90, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835143} normal block at 0x0000021D5AFB2360, 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) : {3835140} normal block at 0x0000021D59366B30, 8 bytes long.
 Data: <  /Y    > 00 00 2F 59 1D 02 00 00 
{3834543} normal block at 0x0000021D5AFB2270, 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 0x0000021D59366EF0, 8 bytes long.
 Data: <P` [    > 50 60 05 5B 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000021D593712D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021D59355BC0, 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 0x0000021D59372720, 16 bytes long.
 Data: <H67Y            > 48 36 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021D59373120, 16 bytes long.
 Data: < 67Y            > 20 36 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021D5936DD70, 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 0x0000021D59373080, 16 bytes long.
 Data: <&#248;57Y            > F8 35 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021D59372770, 16 bytes long.
 Data: <&#208;57Y            > D0 35 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021D59372680, 16 bytes long.
 Data: <&#168;57Y            > A8 35 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021D59372DB0, 16 bytes long.
 Data: < 57Y            > 80 35 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021D5936E740, 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 0x0000021D59372C70, 16 bytes long.
 Data: <X[5Y            > 58 5B 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021D5936DCB0, 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 0x0000021D59372EF0, 16 bytes long.
 Data: <0[5Y            > 30 5B 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021D593728B0, 16 bytes long.
 Data: < [5Y            > 08 5B 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021D59372950, 16 bytes long.
 Data: <&#224;Z5Y            > E0 5A 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021D59373030, 16 bytes long.
 Data: <&#184;Z5Y            > B8 5A 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021D59372BD0, 16 bytes long.
 Data: < Z5Y            > 90 5A 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021D59372400, 16 bytes long.
 Data: <hZ5Y            > 68 5A 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021D5936DEF0, 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 0x0000021D59372EA0, 16 bytes long.
 Data: <@Z5Y            > 40 5A 35 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021D59355A40, 320 bytes long.
 Data: <&#160;.7Y    &#240;&#222;6Y    > A0 2E 37 59 1D 02 00 00 F0 DE 36 59 1D 02 00 00 
{269} normal block at 0x0000021D59372360, 16 bytes long.
 Data: <`57Y            > 60 35 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021D59372B80, 16 bytes long.
 Data: <857Y            > 38 35 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021D5936D890, 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 0x0000021D59372B30, 16 bytes long.
 Data: < 57Y            > 10 35 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021D5936D3B0, 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 0x0000021D59372FE0, 16 bytes long.
 Data: <X47Y            > 58 34 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021D59372A40, 16 bytes long.
 Data: <047Y            > 30 34 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021D59372C20, 16 bytes long.
 Data: < 47Y            > 08 34 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021D593729F0, 16 bytes long.
 Data: <&#224;37Y            > E0 33 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021D593729A0, 16 bytes long.
 Data: <&#184;37Y            > B8 33 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021D59372D10, 16 bytes long.
 Data: < 37Y            > 90 33 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021D59372A90, 16 bytes long.
 Data: <&#224;&#233;6Y            > E0 E9 36 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021D5936E9E0, 40 bytes long.
 Data: < *7Y     [9Y    > 90 2A 37 59 1D 02 00 00 90 5B 39 59 1D 02 00 00 
{255} normal block at 0x0000021D59372AE0, 16 bytes long.
 Data: <p37Y            > 70 33 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021D59372E50, 16 bytes long.
 Data: <H37Y            > 48 33 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021D5936D4D0, 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 0x0000021D59372810, 16 bytes long.
 Data: < 37Y            > 20 33 37 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000021D59373320, 992 bytes long.
 Data: < (7Y    &#208;&#212;6Y    > 10 28 37 59 1D 02 00 00 D0 D4 36 59 1D 02 00 00 
{87} normal block at 0x0000021D5936D710, 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 0x0000021D593671C0, 16 bytes long.
 Data: <&#176;&#231;6Y            > B0 E7 36 59 1D 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000021D5936E7B0, 40 bytes long.
 Data: <&#192;q6Y     &#215;6Y    > C0 71 36 59 1D 02 00 00 10 D7 36 59 1D 02 00 00 
{64} normal block at 0x0000021D593669F0, 16 bytes long.
 Data: < &#234;l&#212;&#246;           > 80 EA 6C D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021D59366EA0, 16 bytes long.
 Data: <@&#233;l&#212;&#246;           > 40 E9 6C D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021D593664F0, 16 bytes long.
 Data: <&#248;Wi&#212;&#246;           > F8 57 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021D59366AE0, 16 bytes long.
 Data: <&#216;Wi&#212;&#246;           > D8 57 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021D59366400, 16 bytes long.
 Data: <P i&#212;&#246;           > 50 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021D593669A0, 16 bytes long.
 Data: <0 i&#212;&#246;           > 30 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021D59366E50, 16 bytes long.
 Data: <&#224; i&#212;&#246;           > E0 02 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021D59366810, 16 bytes long.
 Data: <  i&#212;&#246;           > 10 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021D593663B0, 16 bytes long.
 Data: <p i&#212;&#246;           > 70 04 69 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021D593665E0, 16 bytes long.
 Data: < &#192;g&#212;&#246;           > 18 C0 67 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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