Task 38680437

Name test_932-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1145_0
Workunit 31622158
Created 26 Oct 2026, 23:57:34 UTC
Sent 26 Oct 2026, 23:57:43 UTC
Report deadline 31 Oct 2026, 23:57:43 UTC
Received 27 Oct 2026, 4:31:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 37 min 6 sec
CPU time 33 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.63 MB
Peak swap size 3.84 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:53:18 (29156): wrapper (7.9.26016): starting
01:53:18 (29156): 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
01:53:20 (29156): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:53:20 (29156): 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 'E:\BOINC\slots\0\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 'E:\BOINC\slots\0\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
02:28:13 (29156): C:/Windows/system32/cmd.exe exited; CPU time 2002.937500
02:28:13 (29156): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 39287157 bytes.
Dumping objects ->
{3835197} normal block at 0x000002F240C3E7E0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x000002F2426F5F20, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x000002F2426F61C0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x000002F2426F6280, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x000002F2426F6160, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x000002F240C3E690, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000002F240C37EC0, 8 bytes long.
 Data: <  &#188;@&#242;   > 00 00 BC 40 F2 02 00 00 
{3833953} normal block at 0x000002F240C37BF0, 8 bytes long.
 Data: <&#208; sB&#242;   > D0 20 73 42 F2 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002F240C41CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002F240C3DF60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002F240C43700, 16 bytes long.
 Data: <&#184;=&#196;@&#242;           > B8 3D C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002F240C436B0, 16 bytes long.
 Data: < =&#196;@&#242;           > 90 3D C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002F240C3CB60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002F240C43660, 16 bytes long.
 Data: <h=&#196;@&#242;           > 68 3D C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002F240C43480, 16 bytes long.
 Data: <@=&#196;@&#242;           > 40 3D C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002F240C43430, 16 bytes long.
 Data: < =&#196;@&#242;           > 18 3D C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002F240C42E90, 16 bytes long.
 Data: <&#240;<&#196;@&#242;           > F0 3C C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002F240C3E380, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002F240C435C0, 16 bytes long.
 Data: <&#216;`&#194;@&#242;           > D8 60 C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002F240C3C800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002F240C433E0, 16 bytes long.
 Data: <&#176;`&#194;@&#242;           > B0 60 C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002F240C43390, 16 bytes long.
 Data: < `&#194;@&#242;           > 88 60 C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002F240C42F80, 16 bytes long.
 Data: <``&#194;@&#242;           > 60 60 C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002F240C43610, 16 bytes long.
 Data: <8`&#194;@&#242;           > 38 60 C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002F240C43570, 16 bytes long.
 Data: < `&#194;@&#242;           > 10 60 C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002F240C42E40, 16 bytes long.
 Data: <&#232;_&#194;@&#242;           > E8 5F C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002F240C3D520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002F240C43340, 16 bytes long.
 Data: <&#192;_&#194;@&#242;           > C0 5F C2 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002F240C25FC0, 320 bytes long.
 Data: <@3&#196;@&#242;    &#213;&#195;@&#242;   > 40 33 C4 40 F2 02 00 00 20 D5 C3 40 F2 02 00 00 
{272} normal block at 0x000002F240C437A0, 16 bytes long.
 Data: <&#208;<&#196;@&#242;           > D0 3C C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002F240C42B70, 16 bytes long.
 Data: <&#168;<&#196;@&#242;           > A8 3C C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002F240C3D4C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002F240C42BC0, 16 bytes long.
 Data: < <&#196;@&#242;           > 80 3C C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002F240C3C680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002F240C432F0, 16 bytes long.
 Data: <&#200;;&#196;@&#242;           > C8 3B C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002F240C43A20, 16 bytes long.
 Data: <&#160;;&#196;@&#242;           > A0 3B C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002F240C43250, 16 bytes long.
 Data: <x;&#196;@&#242;           > 78 3B C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002F240C42C10, 16 bytes long.
 Data: <P;&#196;@&#242;           > 50 3B C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002F240C42F30, 16 bytes long.
 Data: <(;&#196;@&#242;           > 28 3B C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002F240C42DF0, 16 bytes long.
 Data: < ;&#196;@&#242;           > 00 3B C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002F240C42CB0, 16 bytes long.
 Data: <@&#229;&#195;@&#242;           > 40 E5 C3 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002F240C3E540, 40 bytes long.
 Data: <&#176;,&#196;@&#242;    &#230;&#195;@&#242;   > B0 2C C4 40 F2 02 00 00 90 E6 C3 40 F2 02 00 00 
{258} normal block at 0x000002F240C42B20, 16 bytes long.
 Data: <&#224;:&#196;@&#242;           > E0 3A C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002F240C43160, 16 bytes long.
 Data: <&#184;:&#196;@&#242;           > B8 3A C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002F240C3CC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002F240C42EE0, 16 bytes long.
 Data: < :&#196;@&#242;           > 90 3A C4 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002F240C43A90, 992 bytes long.
 Data: <&#224;.&#196;@&#242;    &#204;&#195;@&#242;   > E0 2E C4 40 F2 02 00 00 80 CC C3 40 F2 02 00 00 
{90} normal block at 0x000002F240C3C980, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002F240C38140, 16 bytes long.
 Data: < &#234;&#195;@&#242;           > 10 EA C3 40 F2 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002F240C3EA10, 40 bytes long.
 Data: <@ &#195;@&#242;    &#201;&#195;@&#242;   > 40 81 C3 40 F2 02 00 00 80 C9 C3 40 F2 02 00 00 
{67} normal block at 0x000002F240C37D30, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002F240C38370, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002F240C37FB0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002F240C37DD0, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002F240C38000, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002F240C38690, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002F240C379C0, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002F240C38500, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002F240C37F60, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002F240C38460, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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