Task 38638430

Name tnks2_A09_A15_r0_1-QUICO_ATM_OpenFF23_NAGL_tnks2-1-6-RND3809_1
Workunit 31586221
Created 30 Apr 2026, 5:54:55 UTC
Sent 30 Apr 2026, 5:55:05 UTC
Report deadline 5 May 2026, 5:55:05 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 33 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 47.96 MB
Peak swap size 36.71 MB
Peak disk usage 1.47 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>
12:58:53 (12264): wrapper (7.9.26016): starting
12:58:53 (12264): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A15_0.pdb
QB_A09_A15_0.xml
QB_A09_A15.inpcrd
QB_A09_A15_input.yaml
QB_A09_A15.pdb
QB_A09_A15.prmtop
QB_A09_A15_sys.xml
run.bat
run.sh
12:58:54 (12264): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:58:54 (12264): 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 0x000001E3EC96FE90>: 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 0x000001E3EC970590>: 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 0x000001E3EC970B90>: 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 0x000001E3EC9714D0>: 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 0x000001E3EC972110>: 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 0x000002375BDD1410>: 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 0x000002375BDD1D50>: 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 0x000002375BDD28D0>: 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 0x000002375BDD3510>: 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 0x000002375BDE8150>: 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
12:59:36 (12264): C:/Windows/system32/cmd.exe exited; CPU time 1.218750
12:59:36 (12264): app exit status: 0x16
12:59:36 (12264): 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: 741919 bytes.
Dumping objects ->
{3835268} normal block at 0x00000281976C71D0, 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 0x00000281976C6670, 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 0x00000281976C6980, 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 0x00000281976C7240, 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 0x00000281976C7010, 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 0x0000028199432D10, 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 0x000002819944DC00, 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 0x0000028197697B50, 8 bytes long.
 Data: <  e&#151;    > 00 00 65 97 81 02 00 00 
{3834555} normal block at 0x000002819944D7E0, 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 0x0000028197697A10, 8 bytes long.
 Data: <  I     > 10 1D 49 99 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000281976A22D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028197685BE0, 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 0x00000281976A3A40, 16 bytes long.
 Data: <&#200;Cj&#151;            > C8 43 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000281976A3130, 16 bytes long.
 Data: <&#160;Cj&#151;            > A0 43 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002819769DDF0, 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 0x00000281976A3B30, 16 bytes long.
 Data: <xCj&#151;            > 78 43 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000281976A32C0, 16 bytes long.
 Data: <PCj&#151;            > 50 43 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000281976A3D60, 16 bytes long.
 Data: <(Cj&#151;            > 28 43 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000281976A33B0, 16 bytes long.
 Data: < Cj&#151;            > 00 43 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002819769C2B0, 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 0x00000281976A3CC0, 16 bytes long.
 Data: <x[h&#151;            > 78 5B 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002819769D910, 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 0x00000281976A3450, 16 bytes long.
 Data: <P[h&#151;            > 50 5B 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000281976A35E0, 16 bytes long.
 Data: <([h&#151;            > 28 5B 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000281976A3630, 16 bytes long.
 Data: < [h&#151;            > 00 5B 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000281976A39A0, 16 bytes long.
 Data: <&#216;Zh&#151;            > D8 5A 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000281976A3770, 16 bytes long.
 Data: <&#176;Zh&#151;            > B0 5A 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000281976A3310, 16 bytes long.
 Data: < Zh&#151;            > 88 5A 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002819769DFD0, 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 0x00000281976A30E0, 16 bytes long.
 Data: <`Zh&#151;            > 60 5A 68 97 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028197685A60, 320 bytes long.
 Data: <&#224;0j&#151;    &#208;&#223;i&#151;    > E0 30 6A 97 81 02 00 00 D0 DF 69 97 81 02 00 00 
{269} normal block at 0x00000281976A3FE0, 16 bytes long.
 Data: <&#224;Bj&#151;            > E0 42 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000281976A3E50, 16 bytes long.
 Data: <&#184;Bj&#151;            > B8 42 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002819769D5B0, 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 0x00000281976A3E00, 16 bytes long.
 Data: < Bj&#151;            > 90 42 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002819769E090, 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 0x00000281976A3950, 16 bytes long.
 Data: <&#216;Aj&#151;            > D8 41 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000281976A3EA0, 16 bytes long.
 Data: <&#176;Aj&#151;            > B0 41 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000281976A34A0, 16 bytes long.
 Data: < Aj&#151;            > 88 41 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000281976A3900, 16 bytes long.
 Data: <`Aj&#151;            > 60 41 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000281976A3540, 16 bytes long.
 Data: <8Aj&#151;            > 38 41 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000281976A3270, 16 bytes long.
 Data: < Aj&#151;            > 10 41 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000281976A3AE0, 16 bytes long.
 Data: <&#192;&#190;i&#151;            > C0 BE 69 97 81 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002819769BEC0, 40 bytes long.
 Data: <&#224;:j&#151;     -C     > E0 3A 6A 97 81 02 00 00 10 2D 43 99 81 02 00 00 
{255} normal block at 0x00000281976A38B0, 16 bytes long.
 Data: <&#240;@j&#151;            > F0 40 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000281976A3720, 16 bytes long.
 Data: <&#200;@j&#151;            > C8 40 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002819769D850, 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 0x00000281976A3860, 16 bytes long.
 Data: <&#160;@j&#151;            > A0 40 6A 97 81 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000281976A40A0, 992 bytes long.
 Data: <`8j&#151;    P&#216;i&#151;    > 60 38 6A 97 81 02 00 00 50 D8 69 97 81 02 00 00 
{87} normal block at 0x000002819769D490, 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 0x00000281976980A0, 16 bytes long.
 Data: <&#192;&#197;i&#151;            > C0 C5 69 97 81 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002819769C5C0, 40 bytes long.
 Data: <&#160; i&#151;     &#212;i&#151;    > A0 80 69 97 81 02 00 00 90 D4 69 97 81 02 00 00 
{64} normal block at 0x0000028197697B00, 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 0x0000028197697F60, 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 0x0000028197698050, 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 0x0000028197697740, 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 0x0000028197697E70, 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 0x00000281976975B0, 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 0x0000028197697C90, 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 0x0000028197697290, 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 0x0000028197697650, 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 0x0000028197697330, 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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