Task 38637300

Name tnks2_A02_A18_r0_4-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND6994_2
Workunit 31585188
Created 29 Apr 2026, 14:37:09 UTC
Sent 29 Apr 2026, 14:37:22 UTC
Report deadline 4 May 2026, 14:37:22 UTC
Received 29 Apr 2026, 20:25:21 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 0 (0x00000000)
Computer ID 514581
Run time 2 min
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 5,160.28 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 11.48 MB
Peak swap size 5.25 MB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
22:18:51 (19904): wrapper (7.9.26016): starting
22:18:51 (19904): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A18_0.pdb
QB_A02_A18_0.xml
QB_A02_A18.inpcrd
QB_A02_A18_input.yaml
QB_A02_A18.pdb
QB_A02_A18.prmtop
QB_A02_A18_sys.xml
run.bat
run.sh
22:18:52 (19904): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:18:52 (19904): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
22:23:36 (29052): wrapper (7.9.26016): starting
22:23:36 (29052): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
22:23:37 (29052): C:/Windows/system32/cmd.exe exited; CPU time 0.000000
22:23:37 (29052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 216153 bytes.
Dumping objects ->
{3850308} normal block at 0x0000028ACDC5D290, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850297} normal block at 0x0000028ACDC5DA00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850286} normal block at 0x0000028ACDC5D990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3850275} normal block at 0x0000028ACDC5DAE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850264} normal block at 0x0000028ACDC5D920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3850233} normal block at 0x0000028ACDC01680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3850222} normal block at 0x0000028ACDC62B30, 85 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) : {3850219} normal block at 0x0000028ACBF9EF70, 8 bytes long.
 Data: <  &#244;&#203;&#138;   > 00 00 F4 CB 8A 02 00 00 
{3849399} normal block at 0x0000028ACDC626D0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3848648} normal block at 0x0000028ACBF9EF20, 8 bytes long.
 Data: < &#172;&#202;&#205;&#138;   > 00 AC CA CD 8A 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000028ACBF96C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000028ACBF96240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000028ACBFAB720, 16 bytes long.
 Data: <&#168;&#187;&#250;&#203;&#138;           > A8 BB FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028ACBFAB6D0, 16 bytes long.
 Data: < &#187;&#250;&#203;&#138;           > 80 BB FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028ACBFA50E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000028ACBFAB590, 16 bytes long.
 Data: <X&#187;&#250;&#203;&#138;           > 58 BB FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028ACBFAB540, 16 bytes long.
 Data: <0&#187;&#250;&#203;&#138;           > 30 BB FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028ACBFAAFF0, 16 bytes long.
 Data: < &#187;&#250;&#203;&#138;           > 08 BB FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028ACBFAB4F0, 16 bytes long.
 Data: <&#224;&#186;&#250;&#203;&#138;           > E0 BA FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028ACBFA6720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000028ACBFAACD0, 16 bytes long.
 Data: <  &#249;&#203;&#138;           > 88 19 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028ACBFA4A20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000028ACBFAAC80, 16 bytes long.
 Data: <` &#249;&#203;&#138;           > 60 19 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028ACBFAB4A0, 16 bytes long.
 Data: <8 &#249;&#203;&#138;           > 38 19 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028ACBFAAFA0, 16 bytes long.
 Data: <  &#249;&#203;&#138;           > 10 19 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028ACBFAB1D0, 16 bytes long.
 Data: <&#232; &#249;&#203;&#138;           > E8 18 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028ACBFAB450, 16 bytes long.
 Data: <&#192; &#249;&#203;&#138;           > C0 18 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028ACBFAAAF0, 16 bytes long.
 Data: <  &#249;&#203;&#138;           > 98 18 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028ACBFA4EA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000028ACBFAAF50, 16 bytes long.
 Data: <p &#249;&#203;&#138;           > 70 18 F9 CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028ACBF91870, 320 bytes long.
 Data: <P&#175;&#250;&#203;&#138;   &#160;N&#250;&#203;&#138;   > 50 AF FA CB 8A 02 00 00 A0 4E FA CB 8A 02 00 00 
{278} normal block at 0x0000028ACBFAAEB0, 16 bytes long.
 Data: <&#192;&#186;&#250;&#203;&#138;           > C0 BA FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028ACBFAABE0, 16 bytes long.
 Data: < &#186;&#250;&#203;&#138;           > 98 BA FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028ACBFA54A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000028ACBFAB810, 16 bytes long.
 Data: <p&#186;&#250;&#203;&#138;           > 70 BA FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028ACBFA4CC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000028ACBFAAAA0, 16 bytes long.
 Data: <&#184;&#185;&#250;&#203;&#138;           > B8 B9 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028ACBFAB2C0, 16 bytes long.
 Data: < &#185;&#250;&#203;&#138;           > 90 B9 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028ACBFAAE10, 16 bytes long.
 Data: <h&#185;&#250;&#203;&#138;           > 68 B9 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028ACBFAA9B0, 16 bytes long.
 Data: <@&#185;&#250;&#203;&#138;           > 40 B9 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028ACBFAB270, 16 bytes long.
 Data: < &#185;&#250;&#203;&#138;           > 18 B9 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028ACBFAB680, 16 bytes long.
 Data: <&#240;&#184;&#250;&#203;&#138;           > F0 B8 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028ACBFAAF00, 16 bytes long.
 Data: <@m&#250;&#203;&#138;           > 40 6D FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028ACBFA6D40, 40 bytes long.
 Data: < &#175;&#250;&#203;&#138;     &#192;&#205;&#138;   > 00 AF FA CB 8A 02 00 00 80 16 C0 CD 8A 02 00 00 
{264} normal block at 0x0000028ACBFAB400, 16 bytes long.
 Data: <&#208;&#184;&#250;&#203;&#138;           > D0 B8 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028ACBFAB630, 16 bytes long.
 Data: <&#168;&#184;&#250;&#203;&#138;           > A8 B8 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028ACBFA4660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000028ACBFAB180, 16 bytes long.
 Data: < &#184;&#250;&#203;&#138;           > 80 B8 FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028ACBFAB880, 992 bytes long.
 Data: < &#177;&#250;&#203;&#138;   `F&#250;&#203;&#138;   > 80 B1 FA CB 8A 02 00 00 60 46 FA CB 8A 02 00 00 
{96} normal block at 0x0000028ACBFA5080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000028ACBF9F0B0, 16 bytes long.
 Data: <&#240;k&#250;&#203;&#138;           > F0 6B FA CB 8A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000028ACBFA6BF0, 40 bytes long.
 Data: <&#176;&#240;&#249;&#203;&#138;    P&#250;&#203;&#138;   > B0 F0 F9 CB 8A 02 00 00 80 50 FA CB 8A 02 00 00 
{73} normal block at 0x0000028ACBF9FC40, 16 bytes long.
 Data: < &#234;w&#170;&#246;           > 80 EA 77 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028ACBF9F9C0, 16 bytes long.
 Data: <@&#233;w&#170;&#246;           > 40 E9 77 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028ACBF9FBF0, 16 bytes long.
 Data: <&#248;Wt&#170;&#246;           > F8 57 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028ACBF9F8D0, 16 bytes long.
 Data: <&#216;Wt&#170;&#246;           > D8 57 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028ACBF9FA60, 16 bytes long.
 Data: <P t&#170;&#246;           > 50 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028ACBF9F060, 16 bytes long.
 Data: <0 t&#170;&#246;           > 30 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028ACBF9F380, 16 bytes long.
 Data: <&#224; t&#170;&#246;           > E0 02 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028ACBF9EED0, 16 bytes long.
 Data: <  t&#170;&#246;           > 10 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028ACBF9F830, 16 bytes long.
 Data: <p t&#170;&#246;           > 70 04 74 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028ACBF9F650, 16 bytes long.
 Data: < &#192;r&#170;&#246;           > 18 C0 72 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
<message>
upload failure: <file_xfer_error>
  <file_name>tnks2_A02_A18_r0_4-QUICO_ATM_OpenFF23_NAGL_tnks2-0-6-RND6994_2_r1805997723_0</file_name>
  <error_code>-240 (stat() failed)</error_code>
</file_xfer_error>
</message>
]]>


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