Task 38643135

Name shp2_A07_A06_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND8588_1
Workunit 31589614
Created 7 May 2026, 10:47:46 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 9 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 46.75 MB
Peak swap size 36.24 MB
Peak disk usage 1.52 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>
16:46:04 (9740): wrapper (7.9.26016): starting
16:46:04 (9740): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A06_0.pdb
QB_A07_A06_0.xml
QB_A07_A06.inpcrd
QB_A07_A06_input.yaml
QB_A07_A06.pdb
QB_A07_A06.prmtop
QB_A07_A06_sys.xml
run.bat
run.sh
16:46:07 (9740): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:46:07 (9740): 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 0x000001A88D32A590>: 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 0x000001A88D334890>: 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 0x000001A88D335190>: 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 0x000001A88D335A50>: 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 0x000001A88D336310>: 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 0x000002C41C29DE90>: 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 0x000002C41C29E450>: 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 0x000002C41C29F190>: 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 0x000002C41C29FD50>: 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 0x000002C41C2B0990>: 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
16:46:28 (9740): C:/Windows/system32/cmd.exe exited; CPU time 1.593750
16:46:28 (9740): app exit status: 0x16
16:46:28 (9740): 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: 292085 bytes.
Dumping objects ->
{3835229} normal block at 0x000002616B2F59D0, 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 0x000002616D034990, 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 0x000002616D0350B0, 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 0x000002616D034E10, 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 0x000002616D0343F0, 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 0x000002616B2F5F80, 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 0x000002616CF92BD0, 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 0x000002616B2C6360, 8 bytes long.
 Data: <   ma   > 00 00 10 6D 61 02 00 00 
{3834543} normal block at 0x000002616CF92AE0, 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 0x000002616B2C6CC0, 8 bytes long.
 Data: <P` ma   > 50 60 03 6D 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002616B2D12D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002616B2B5BC0, 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 0x000002616B2D2630, 16 bytes long.
 Data: <H6-ka           > 48 36 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002616B2D2BD0, 16 bytes long.
 Data: < 6-ka           > 20 36 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002616B2CD590, 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 0x000002616B2D2770, 16 bytes long.
 Data: <&#248;5-ka           > F8 35 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002616B2D31C0, 16 bytes long.
 Data: <&#208;5-ka           > D0 35 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002616B2D2F40, 16 bytes long.
 Data: <&#168;5-ka           > A8 35 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002616B2D3170, 16 bytes long.
 Data: < 5-ka           > 80 35 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002616B2CE9E0, 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 0x000002616B2D2A40, 16 bytes long.
 Data: <X[+ka           > 58 5B 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002616B2CDDD0, 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 0x000002616B2D2400, 16 bytes long.
 Data: <0[+ka           > 30 5B 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002616B2D2B80, 16 bytes long.
 Data: < [+ka           > 08 5B 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002616B2D29F0, 16 bytes long.
 Data: <&#224;Z+ka           > E0 5A 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002616B2D2EF0, 16 bytes long.
 Data: <&#184;Z+ka           > B8 5A 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002616B2D29A0, 16 bytes long.
 Data: < Z+ka           > 90 5A 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002616B2D2590, 16 bytes long.
 Data: <hZ+ka           > 68 5A 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002616B2CD9B0, 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 0x000002616B2D2CC0, 16 bytes long.
 Data: <@Z+ka           > 40 5A 2B 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002616B2B5A40, 320 bytes long.
 Data: <&#192;,-ka   &#176;&#217;,ka   > C0 2C 2D 6B 61 02 00 00 B0 D9 2C 6B 61 02 00 00 
{269} normal block at 0x000002616B2D25E0, 16 bytes long.
 Data: <`5-ka           > 60 35 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002616B2D3210, 16 bytes long.
 Data: <85-ka           > 38 35 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002616B2CE2B0, 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 0x000002616B2D32B0, 16 bytes long.
 Data: < 5-ka           > 10 35 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002616B2CDC50, 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 0x000002616B2D2B30, 16 bytes long.
 Data: <X4-ka           > 58 34 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002616B2D2C70, 16 bytes long.
 Data: <04-ka           > 30 34 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002616B2D2360, 16 bytes long.
 Data: < 4-ka           > 08 34 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002616B2D2950, 16 bytes long.
 Data: <&#224;3-ka           > E0 33 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002616B2D3120, 16 bytes long.
 Data: <&#184;3-ka           > B8 33 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002616B2D2680, 16 bytes long.
 Data: < 3-ka           > 90 33 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002616B2D3080, 16 bytes long.
 Data: <0&#228;,ka           > 30 E4 2C 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002616B2CE430, 40 bytes long.
 Data: < 0-ka    _/ka   > 80 30 2D 6B 61 02 00 00 80 5F 2F 6B 61 02 00 00 
{255} normal block at 0x000002616B2D2C20, 16 bytes long.
 Data: <p3-ka           > 70 33 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002616B2D2AE0, 16 bytes long.
 Data: <H3-ka           > 48 33 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002616B2CD3B0, 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 0x000002616B2D2720, 16 bytes long.
 Data: < 3-ka           > 20 33 2D 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002616B2D3320, 992 bytes long.
 Data: < '-ka   &#176;&#211;,ka   > 20 27 2D 6B 61 02 00 00 B0 D3 2C 6B 61 02 00 00 
{87} normal block at 0x000002616B2CD530, 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 0x000002616B2C65E0, 16 bytes long.
 Data: <&#192;&#234;,ka           > C0 EA 2C 6B 61 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002616B2CEAC0, 40 bytes long.
 Data: <&#224;e,ka   0&#213;,ka   > E0 65 2C 6B 61 02 00 00 30 D5 2C 6B 61 02 00 00 
{64} normal block at 0x000002616B2C6F90, 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 0x000002616B2C6770, 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 0x000002616B2C6310, 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 0x000002616B2C6540, 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 0x000002616B2C6C20, 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 0x000002616B2C6AE0, 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 0x000002616B2C6C70, 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 0x000002616B2C7260, 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 0x000002616B2C6720, 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 0x000002616B2C64F0, 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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