Task 38687245

Name test_788-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6774_0
Workunit 31628639
Created 28 Oct 2026, 6:45:37 UTC
Sent 28 Oct 2026, 6:45:42 UTC
Report deadline 2 Nov 2026, 6:45:42 UTC
Received 28 Oct 2026, 7:22:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 35 sec
CPU time 16 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.09 MB
Peak swap size 19.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:04:34 (21992): wrapper (7.9.26016): starting
08:04:34 (21992): 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
08:04:36 (21992): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:04:36 (21992): 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\9\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\9\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
08:22:25 (21992): C:/Windows/system32/cmd.exe exited; CPU time 987.093750
08:22:25 (21992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 19433405 bytes.
Dumping objects ->
{3835248} normal block at 0x00000175742BD150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000175724B4620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000175724B44D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000175724B45B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000175724B4850, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000017574309EF0, 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) : {3835160} normal block at 0x00000175724AF090, 8 bytes long.
 Data: <  &#150;ru   > 00 00 96 72 75 01 00 00 
{3833957} normal block at 0x00000175724AFE50, 8 bytes long.
 Data: <P89tu   > 50 38 39 74 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000175724B07D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000175724A5890, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000175724B58F0, 16 bytes long.
 Data: <&#184;QKru           > B8 51 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000175724B58A0, 16 bytes long.
 Data: < QKru           > 90 51 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000175724AE690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000175724B5440, 16 bytes long.
 Data: <hQKru           > 68 51 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000175724B5E40, 16 bytes long.
 Data: <@QKru           > 40 51 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000175724B5E90, 16 bytes long.
 Data: < QKru           > 18 51 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000175724B60C0, 16 bytes long.
 Data: <&#240;PKru           > F0 50 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000175724B4700, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000175724B57B0, 16 bytes long.
 Data: <8&#222;Jru           > 38 DE 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000175724AEAB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000175724B5760, 16 bytes long.
 Data: < &#222;Jru           > 10 DE 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000175724B5990, 16 bytes long.
 Data: <&#232;&#221;Jru           > E8 DD 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000175724B5530, 16 bytes long.
 Data: <&#192;&#221;Jru           > C0 DD 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000175724B56C0, 16 bytes long.
 Data: < &#221;Jru           > 98 DD 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000175724B6250, 16 bytes long.
 Data: <p&#221;Jru           > 70 DD 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000175724B5580, 16 bytes long.
 Data: <H&#221;Jru           > 48 DD 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000175724AE630, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000175724B5B70, 16 bytes long.
 Data: < &#221;Jru           > 20 DD 4A 72 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000175724ADD20, 320 bytes long.
 Data: <p[Kru   0&#230;Jru   > 70 5B 4B 72 75 01 00 00 30 E6 4A 72 75 01 00 00 
{274} normal block at 0x00000175724B5CB0, 16 bytes long.
 Data: <&#208;PKru           > D0 50 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000175724B5800, 16 bytes long.
 Data: <&#168;PKru           > A8 50 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000175724AE5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000175724B6200, 16 bytes long.
 Data: < PKru           > 80 50 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000175724AEE10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000175724B5940, 16 bytes long.
 Data: <&#200;OKru           > C8 4F 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000175724B5670, 16 bytes long.
 Data: <&#160;OKru           > A0 4F 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000175724B5850, 16 bytes long.
 Data: <xOKru           > 78 4F 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000175724B5710, 16 bytes long.
 Data: <POKru           > 50 4F 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000175724B6020, 16 bytes long.
 Data: <(OKru           > 28 4F 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000175724AF950, 16 bytes long.
 Data: < OKru           > 00 4F 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000175724AF400, 16 bytes long.
 Data: < FKru           > 90 46 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000175724B4690, 40 bytes long.
 Data: < &#244;Jru   &#240;&#158;0tu   > 00 F4 4A 72 75 01 00 00 F0 9E 30 74 75 01 00 00 
{260} normal block at 0x00000175724AF220, 16 bytes long.
 Data: <&#224;NKru           > E0 4E 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000175724AF720, 16 bytes long.
 Data: <&#184;NKru           > B8 4E 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000175724AE1B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000175724AF040, 16 bytes long.
 Data: < NKru           > 90 4E 4B 72 75 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000175724B4E90, 992 bytes long.
 Data: <@&#240;Jru   &#176;&#225;Jru   > 40 F0 4A 72 75 01 00 00 B0 E1 4A 72 75 01 00 00 
{92} normal block at 0x00000175724AE6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000175724AFF90, 16 bytes long.
 Data: <@&#220;Iru           > 40 DC 49 72 75 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001757249DC40, 40 bytes long.
 Data: < &#255;Jru   &#240;&#230;Jru   > 90 FF 4A 72 75 01 00 00 F0 E6 4A 72 75 01 00 00 
{69} normal block at 0x00000175724AF3B0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000175724AFEF0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000175724AFB30, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000175724AF540, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000175724AFEA0, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000175724AF0E0, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000175724AF4A0, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000175724AF630, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000175724AFE00, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000175724AFF40, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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