Task 38671768

Name test_587-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3453_1
Workunit 31613909
Created 25 Oct 2026, 21:31:03 UTC
Sent 25 Oct 2026, 21:31:10 UTC
Report deadline 30 Oct 2026, 21:31:10 UTC
Received 25 Oct 2026, 23:02:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654147
Run time 35 min 8 sec
CPU time 31 min 44 sec
Validate state Valid
Credit 60,000.00
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 689.24 MB
Peak swap size 5.26 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:25:41 (15932): wrapper (7.9.26016): starting
23:25:41 (15932): 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
23:25:43 (15932): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:25:43 (15932): 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\4\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\4\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
23:59:32 (15932): C:/Windows/system32/cmd.exe exited; CPU time 1904.359375
23:59:32 (15932): 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: 33269843 bytes.
Dumping objects ->
{3835197} normal block at 0x000002ADD2B4C9D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002ADD2B4CCE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002ADD2AF46A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000002ADD2AF4630, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000002ADD2AF4550, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000002ADD476A2C0, 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) : {3835109} normal block at 0x000002ADD2AF0290, 8 bytes long.
 Data: <  &#172;&#210;&#173;   > 00 00 AC D2 AD 02 00 00 
{3833959} normal block at 0x000002ADD2AEFA20, 8 bytes long.
 Data: <&#208;:|&#212;&#173;   > D0 3A 7C D4 AD 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002ADD2AEE740, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002ADD2AE6960, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002ADD2AF5870, 16 bytes long.
 Data: <&#216;c&#175;&#210;&#173;           > D8 63 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002ADD2AF5190, 16 bytes long.
 Data: <&#176;c&#175;&#210;&#173;           > B0 63 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002ADD2AF0600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002ADD2AF54B0, 16 bytes long.
 Data: < c&#175;&#210;&#173;           > 88 63 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002ADD2AF5FF0, 16 bytes long.
 Data: <`c&#175;&#210;&#173;           > 60 63 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002ADD2AF5DC0, 16 bytes long.
 Data: <8c&#175;&#210;&#173;           > 38 63 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ADD2AF5EB0, 16 bytes long.
 Data: < c&#175;&#210;&#173;           > 10 63 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002ADD2AF47F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002ADD2AF5140, 16 bytes long.
 Data: <&#200;&#228;&#173;&#210;&#173;           > C8 E4 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002ADD2AF0DE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002ADD2AF5690, 16 bytes long.
 Data: <&#160;&#228;&#173;&#210;&#173;           > A0 E4 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002ADD2AF55F0, 16 bytes long.
 Data: <x&#228;&#173;&#210;&#173;           > 78 E4 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ADD2AF5B90, 16 bytes long.
 Data: <P&#228;&#173;&#210;&#173;           > 50 E4 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ADD2AF55A0, 16 bytes long.
 Data: <(&#228;&#173;&#210;&#173;           > 28 E4 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002ADD2AF5780, 16 bytes long.
 Data: < &#228;&#173;&#210;&#173;           > 00 E4 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ADD2AF5AF0, 16 bytes long.
 Data: <&#216;&#227;&#173;&#210;&#173;           > D8 E3 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002ADD2AF0900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002ADD2AF5730, 16 bytes long.
 Data: <&#176;&#227;&#173;&#210;&#173;           > B0 E3 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002ADD2ADE3B0, 320 bytes long.
 Data: <0W&#175;&#210;&#173;    	&#175;&#210;&#173;   > 30 57 AF D2 AD 02 00 00 00 09 AF D2 AD 02 00 00 
{275} normal block at 0x000002ADD2AF5FA0, 16 bytes long.
 Data: <&#240;b&#175;&#210;&#173;           > F0 62 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002ADD2AF5640, 16 bytes long.
 Data: <&#200;b&#175;&#210;&#173;           > C8 62 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002ADD2AF04E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002ADD2AF50F0, 16 bytes long.
 Data: <&#160;b&#175;&#210;&#173;           > A0 62 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002ADD2AF1200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002ADD2AF6040, 16 bytes long.
 Data: <&#232;a&#175;&#210;&#173;           > E8 61 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ADD2AF56E0, 16 bytes long.
 Data: <&#192;a&#175;&#210;&#173;           > C0 61 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ADD2AF5B40, 16 bytes long.
 Data: < a&#175;&#210;&#173;           > 98 61 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002ADD2AF5C80, 16 bytes long.
 Data: <pa&#175;&#210;&#173;           > 70 61 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ADD2AF5C30, 16 bytes long.
 Data: <Ha&#175;&#210;&#173;           > 48 61 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002ADD2AF5550, 16 bytes long.
 Data: < a&#175;&#210;&#173;           > 20 61 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002ADD2AF53C0, 16 bytes long.
 Data: <&#192;E&#175;&#210;&#173;           > C0 45 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002ADD2AF45C0, 40 bytes long.
 Data: <&#192;S&#175;&#210;&#173;   &#192;&#162;v&#212;&#173;   > C0 53 AF D2 AD 02 00 00 C0 A2 76 D4 AD 02 00 00 
{261} normal block at 0x000002ADD2AF5A50, 16 bytes long.
 Data: < a&#175;&#210;&#173;           > 00 61 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002ADD2AF5AA0, 16 bytes long.
 Data: <&#216;`&#175;&#210;&#173;           > D8 60 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002ADD2AF0FC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002ADD2AF5460, 16 bytes long.
 Data: <&#176;`&#175;&#210;&#173;           > B0 60 AF D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002ADD2AF60B0, 992 bytes long.
 Data: <`T&#175;&#210;&#173;   &#192; &#175;&#210;&#173;   > 60 54 AF D2 AD 02 00 00 C0 0F AF D2 AD 02 00 00 
{93} normal block at 0x000002ADD2AF0CC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002ADD2AEFDE0, 16 bytes long.
 Data: < &#193;&#173;&#210;&#173;           > 00 C1 AD D2 AD 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002ADD2ADC100, 40 bytes long.
 Data: <&#224;&#253;&#174;&#210;&#173;   &#192; &#175;&#210;&#173;   > E0 FD AE D2 AD 02 00 00 C0 0C AF D2 AD 02 00 00 
{70} normal block at 0x000002ADD2AEF660, 16 bytes long.
 Data: < &#234;&#198;b&#247;           > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002ADD2AEF840, 16 bytes long.
 Data: <@&#233;&#198;b&#247;           > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ADD2AEF700, 16 bytes long.
 Data: <&#248;W&#195;b&#247;           > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ADD2AEF610, 16 bytes long.
 Data: <&#216;W&#195;b&#247;           > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ADD2AEF9D0, 16 bytes long.
 Data: <P &#195;b&#247;           > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ADD2AEFC50, 16 bytes long.
 Data: <0 &#195;b&#247;           > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ADD2AEFCA0, 16 bytes long.
 Data: <&#224; &#195;b&#247;           > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002ADD2AEFFC0, 16 bytes long.
 Data: <  &#195;b&#247;           > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002ADD2AEFBB0, 16 bytes long.
 Data: <p &#195;b&#247;           > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002ADD2AEFCF0, 16 bytes long.
 Data: < &#192;&#193;b&#247;           > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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