Task 38646132

Name test_251-GPUGRID_TEST_ATM_1000_20261023-0-1-RND2383_0
Workunit 31591088
Created 23 Oct 2026, 16:25:58 UTC
Sent 23 Oct 2026, 16:54:14 UTC
Report deadline 28 Oct 2026, 16:54:14 UTC
Received 24 Oct 2026, 8:31:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575758
Run time 1 hours 15 min 17 sec
CPU time 1 hours 7 min 9 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 7,069.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.89 MB
Peak swap size 5.28 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:16:57 (36544): wrapper (7.9.26016): starting
09:16:57 (36544): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
09:16:59 (36544): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:16:59 (36544): 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\2\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.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\2\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.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
10:30:14 (36544): C:/Windows/system32/cmd.exe exited; CPU time 4029.984375
10:30:14 (36544): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 91642573 bytes.
Dumping objects ->
{3835509} normal block at 0x000001456EE5DD70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x000001456EE5E470, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x000001456EE5E630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835476} normal block at 0x000001456EE5DC90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000001456EE5DF30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835434} normal block at 0x0000014570B2C220, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835421} normal block at 0x000001456EE315D0, 8 bytes long.
 Data: <  1oE   > 00 00 31 6F 45 01 00 00 
{3833965} normal block at 0x000001456EE32070, 8 bytes long.
 Data: < &#234;&#240;nE   > 10 EA F0 6E 45 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001456EE262E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001456EE26EB0, 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 0x000001456EE3A7F0, 16 bytes long.
 Data: <&#184;&#183;&#227;nE           > B8 B7 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001456EE3B150, 16 bytes long.
 Data: < &#183;&#227;nE           > 90 B7 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001456EE34000, 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 0x000001456EE3AD40, 16 bytes long.
 Data: <h&#183;&#227;nE           > 68 B7 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001456EE3A930, 16 bytes long.
 Data: <@&#183;&#227;nE           > 40 B7 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001456EE3A660, 16 bytes long.
 Data: < &#183;&#227;nE           > 18 B7 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001456EE3B3D0, 16 bytes long.
 Data: <&#240;&#182;&#227;nE           > F0 B6 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001456EE34E40, 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 0x000001456EE3ADE0, 16 bytes long.
 Data: < &#245;&#225;nE           > 08 F5 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001456EE33F40, 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 0x000001456EE3B240, 16 bytes long.
 Data: <&#224;&#244;&#225;nE           > E0 F4 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001456EE3A840, 16 bytes long.
 Data: <&#184;&#244;&#225;nE           > B8 F4 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001456EE3ACF0, 16 bytes long.
 Data: < &#244;&#225;nE           > 90 F4 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001456EE3A520, 16 bytes long.
 Data: <h&#244;&#225;nE           > 68 F4 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001456EE3AE80, 16 bytes long.
 Data: <@&#244;&#225;nE           > 40 F4 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001456EE3B1F0, 16 bytes long.
 Data: < &#244;&#225;nE           > 18 F4 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001456EE33E80, 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 0x000001456EE3B290, 16 bytes long.
 Data: <&#240;&#243;&#225;nE           > F0 F3 E1 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001456EE1F3F0, 320 bytes long.
 Data: < &#178;&#227;nE    >&#227;nE   > 90 B2 E3 6E 45 01 00 00 80 3E E3 6E 45 01 00 00 
{278} normal block at 0x000001456EE3AC00, 16 bytes long.
 Data: <&#208;&#182;&#227;nE           > D0 B6 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001456EE3B100, 16 bytes long.
 Data: <&#168;&#182;&#227;nE           > A8 B6 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001456EE33AC0, 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 0x000001456EE3B330, 16 bytes long.
 Data: < &#182;&#227;nE           > 80 B6 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001456EE339A0, 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 0x000001456EE3AC50, 16 bytes long.
 Data: <&#200;&#181;&#227;nE           > C8 B5 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001456EE3B060, 16 bytes long.
 Data: <&#160;&#181;&#227;nE           > A0 B5 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001456EE3A9D0, 16 bytes long.
 Data: <x&#181;&#227;nE           > 78 B5 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001456EE3B420, 16 bytes long.
 Data: <P&#181;&#227;nE           > 50 B5 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001456EE3ACA0, 16 bytes long.
 Data: <(&#181;&#227;nE           > 28 B5 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001456EE3AB60, 16 bytes long.
 Data: < &#181;&#227;nE           > 00 B5 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001456EE3B2E0, 16 bytes long.
 Data: <`M&#227;nE           > 60 4D E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001456EE34D60, 40 bytes long.
 Data: <&#224;&#178;&#227;nE    &#194;&#178;pE   > E0 B2 E3 6E 45 01 00 00 20 C2 B2 70 45 01 00 00 
{264} normal block at 0x000001456EE3A610, 16 bytes long.
 Data: <&#224;&#180;&#227;nE           > E0 B4 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001456EE3A890, 16 bytes long.
 Data: <&#184;&#180;&#227;nE           > B8 B4 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001456EE33FA0, 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 0x000001456EE3A5C0, 16 bytes long.
 Data: < &#180;&#227;nE           > 90 B4 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001456EE3B490, 992 bytes long.
 Data: <&#192;&#165;&#227;nE   &#160;?&#227;nE   > C0 A5 E3 6E 45 01 00 00 A0 3F E3 6E 45 01 00 00 
{96} normal block at 0x000001456EE33760, 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 0x000001456EE31940, 16 bytes long.
 Data: <&#224;P&#227;nE           > E0 50 E3 6E 45 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001456EE350E0, 40 bytes long.
 Data: <@ &#227;nE   `7&#227;nE   > 40 19 E3 6E 45 01 00 00 60 37 E3 6E 45 01 00 00 
{73} normal block at 0x000001456EE31580, 16 bytes long.
 Data: < &#234;&#240; &#247;           > 80 EA F0 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001456EE31210, 16 bytes long.
 Data: <@&#233;&#240; &#247;           > 40 E9 F0 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001456EE31350, 16 bytes long.
 Data: <&#248;W&#237; &#247;           > F8 57 ED 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001456EE31490, 16 bytes long.
 Data: <&#216;W&#237; &#247;           > D8 57 ED 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001456EE31530, 16 bytes long.
 Data: <P &#237; &#247;           > 50 04 ED 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001456EE31CB0, 16 bytes long.
 Data: <0 &#237; &#247;           > 30 04 ED 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001456EE31FD0, 16 bytes long.
 Data: <&#224; &#237; &#247;           > E0 02 ED 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001456EE32160, 16 bytes long.
 Data: <  &#237; &#247;           > 10 04 ED 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001456EE318F0, 16 bytes long.
 Data: <p &#237; &#247;           > 70 04 ED 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001456EE31260, 16 bytes long.
 Data: < &#192;&#235; &#247;           > 18 C0 EB 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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