Task 38638506

Name tnks2_A23_A13_r0_5-QUICO_ATM_OpenFF23_NAGL_tnks2-1-6-RND1059_0
Workunit 31586290
Created 30 Apr 2026, 6:58:34 UTC
Sent 30 Apr 2026, 6:58:44 UTC
Report deadline 5 May 2026, 6:58:44 UTC
Received 30 Apr 2026, 11:03:30 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 616757
Run time 1 min 17 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 15,215.49 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 47.94 MB
Peak swap size 36.79 MB
Peak disk usage 2.80 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Il sistema operativo non pu� eseguire (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:00:31 (10680): wrapper (7.9.26016): starting
13:00:31 (10680): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A23_A13_0.pdb
QB_A23_A13_0.xml
QB_A23_A13.inpcrd
QB_A23_A13_input.yaml
QB_A23_A13.pdb
QB_A23_A13.prmtop
QB_A23_A13_sys.xml
run.bat
run.sh
13:00:32 (10680): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:00:32 (10680): 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 0x000001FFE0A6FE50>: 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 0x000001FFE0A70610>: 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 0x000001FFE0A70C10>: 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 0x000001FFE0A71590>: 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 0x000001FFE0A71F50>: 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 0x000001B9DB819010>: 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 0x000001B9DC5C1B50>: 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 0x000001B9DC5C2A10>: 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 0x000001B9DC5C3610>: 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 0x000001B9DC5D8250>: 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:\\ProgramData\\BOINC\\slots\\30\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
13:00:59 (10680): C:/Windows/system32/cmd.exe exited; CPU time 1.265625
13:00:59 (10680): app exit status: 0x16
13:00:59 (10680): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 555567 bytes.
Dumping objects ->
{3835268} normal block at 0x0000021F9EEE6F30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x0000021F9EEE6590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000021F9EEE6EC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x0000021F9EEE6980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x0000021F9EEE7240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x0000021FA0AB5F90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000021FA0ACDCB0, 102 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) : {3835179} normal block at 0x0000021F9EEB7880, 8 bytes long.
 Data: <  &#233;&#158;    > 00 00 E9 9E 1F 02 00 00 
{3834555} normal block at 0x0000021FA0ACD3C0, 102 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 0x0000021F9EEB7830, 8 bytes long.
 Data: <&#176;$&#177;&#160;    > B0 24 B1 A0 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000021F9EEC22D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021F9EEA5BE0, 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 0x0000021F9EEC34F0, 16 bytes long.
 Data: <&#200;C&#236;&#158;            > C8 43 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021F9EEC36D0, 16 bytes long.
 Data: <&#160;C&#236;&#158;            > A0 43 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021F9EEBDC70, 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 0x0000021F9EEC3A40, 16 bytes long.
 Data: <xC&#236;&#158;            > 78 43 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021F9EEC38B0, 16 bytes long.
 Data: <PC&#236;&#158;            > 50 43 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021F9EEC4030, 16 bytes long.
 Data: <(C&#236;&#158;            > 28 43 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021F9EEC3FE0, 16 bytes long.
 Data: < C&#236;&#158;            > 00 43 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021F9EEBBF30, 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 0x0000021F9EEC3590, 16 bytes long.
 Data: <x[&#234;&#158;            > 78 5B EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021F9EEBD550, 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 0x0000021F9EEC34A0, 16 bytes long.
 Data: <P[&#234;&#158;            > 50 5B EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021F9EEC3C20, 16 bytes long.
 Data: <([&#234;&#158;            > 28 5B EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021F9EEC3B80, 16 bytes long.
 Data: < [&#234;&#158;            > 00 5B EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021F9EEC3F90, 16 bytes long.
 Data: <&#216;Z&#234;&#158;            > D8 5A EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021F9EEC3BD0, 16 bytes long.
 Data: <&#176;Z&#234;&#158;            > B0 5A EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021F9EEC3860, 16 bytes long.
 Data: < Z&#234;&#158;            > 88 5A EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021F9EEBD310, 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 0x0000021F9EEC3F40, 16 bytes long.
 Data: <`Z&#234;&#158;            > 60 5A EA 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021F9EEA5A60, 320 bytes long.
 Data: <@?&#236;&#158;     &#211;&#235;&#158;    > 40 3F EC 9E 1F 02 00 00 10 D3 EB 9E 1F 02 00 00 
{269} normal block at 0x0000021F9EEC3900, 16 bytes long.
 Data: <&#224;B&#236;&#158;            > E0 42 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021F9EEC3EF0, 16 bytes long.
 Data: <&#184;B&#236;&#158;            > B8 42 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021F9EEBDFD0, 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 0x0000021F9EEC3450, 16 bytes long.
 Data: < B&#236;&#158;            > 90 42 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021F9EEBDD30, 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 0x0000021F9EEC3720, 16 bytes long.
 Data: <&#216;A&#236;&#158;            > D8 41 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021F9EEC3540, 16 bytes long.
 Data: <&#176;A&#236;&#158;            > B0 41 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021F9EEC3D10, 16 bytes long.
 Data: < A&#236;&#158;            > 88 41 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021F9EEC3400, 16 bytes long.
 Data: <`A&#236;&#158;            > 60 41 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021F9EEC3180, 16 bytes long.
 Data: <8A&#236;&#158;            > 38 41 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021F9EEC39A0, 16 bytes long.
 Data: < A&#236;&#158;            > 10 41 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021F9EEC3950, 16 bytes long.
 Data: <&#192;&#190;&#235;&#158;            > C0 BE EB 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021F9EEBBEC0, 40 bytes long.
 Data: <P9&#236;&#158;     _&#171;&#160;    > 50 39 EC 9E 1F 02 00 00 90 5F AB A0 1F 02 00 00 
{255} normal block at 0x0000021F9EEC30E0, 16 bytes long.
 Data: <&#240;@&#236;&#158;            > F0 40 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021F9EEC3360, 16 bytes long.
 Data: <&#200;@&#236;&#158;            > C8 40 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021F9EEBD370, 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 0x0000021F9EEC3E50, 16 bytes long.
 Data: <&#160;@&#236;&#158;            > A0 40 EC 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000021F9EEC40A0, 992 bytes long.
 Data: <P>&#236;&#158;    p&#211;&#235;&#158;    > 50 3E EC 9E 1F 02 00 00 70 D3 EB 9E 1F 02 00 00 
{87} normal block at 0x0000021F9EEBDF10, 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 0x0000021F9EEB7380, 16 bytes long.
 Data: <&#208;&#193;&#235;&#158;            > D0 C1 EB 9E 1F 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000021F9EEBC1D0, 40 bytes long.
 Data: < s&#235;&#158;     &#223;&#235;&#158;    > 80 73 EB 9E 1F 02 00 00 10 DF EB 9E 1F 02 00 00 
{64} normal block at 0x0000021F9EEB8000, 16 bytes long.
 Data: < &#234;	&#229;&#247;           > 80 EA 09 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021F9EEB76F0, 16 bytes long.
 Data: <@&#233;	&#229;&#247;           > 40 E9 09 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021F9EEB7290, 16 bytes long.
 Data: <&#248;W &#229;&#247;           > F8 57 06 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021F9EEB7BF0, 16 bytes long.
 Data: <&#216;W &#229;&#247;           > D8 57 06 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021F9EEB7CE0, 16 bytes long.
 Data: <P  &#229;&#247;           > 50 04 06 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021F9EEB7B50, 16 bytes long.
 Data: <0  &#229;&#247;           > 30 04 06 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021F9EEB7D30, 16 bytes long.
 Data: <&#224;  &#229;&#247;           > E0 02 06 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021F9EEB7AB0, 16 bytes long.
 Data: <   &#229;&#247;           > 10 04 06 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021F9EEB71F0, 16 bytes long.
 Data: <p  &#229;&#247;           > 70 04 06 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021F9EEB7FB0, 16 bytes long.
 Data: < &#192; &#229;&#247;           > 18 C0 04 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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