Task 38679167

Name test_546-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0521_0
Workunit 31620958
Created 26 Oct 2026, 19:39:11 UTC
Sent 26 Oct 2026, 19:39:15 UTC
Report deadline 31 Oct 2026, 19:39:15 UTC
Received 26 Oct 2026, 21:17:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 34 min 32 sec
CPU time 34 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.17 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:44:10 (11940): wrapper (7.9.26016): starting
13:44:10 (11940): 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
13:44:12 (11940): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:44:12 (11940): 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
14:15:54 (11940): C:/Windows/system32/cmd.exe exited; CPU time 2072.953125
14:15:54 (11940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 32241407 bytes.
Dumping objects ->
{3835233} normal block at 0x0000020C4AC013A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000020C4AC00A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000020C4AC00F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000020C4AC01410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000020C4AC00DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000020C4ACF6BE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000020C4AD0EDD0, 102 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) : {3835144} normal block at 0x0000020C48FA9770, 8 bytes long.
 Data: <  &#247;H    > 00 00 F7 48 0C 02 00 00 
{3834540} normal block at 0x0000020C4AD0EA60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000020C48FA9590, 8 bytes long.
 Data: <@G&#213;J    > 40 47 D5 4A 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020C48FAF5B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020C48F9A9F0, 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 0x0000020C48FB4170, 16 bytes long.
 Data: <&#200;c&#251;H            > C8 63 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C48FB40D0, 16 bytes long.
 Data: <&#160;c&#251;H            > A0 63 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C48FAFE80, 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 0x0000020C48FB5020, 16 bytes long.
 Data: <xc&#251;H            > 78 63 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C48FB4F80, 16 bytes long.
 Data: <Pc&#251;H            > 50 63 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C48FB41C0, 16 bytes long.
 Data: <(c&#251;H            > 28 63 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C48FB4E90, 16 bytes long.
 Data: < c&#251;H            > 00 63 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C48FAE140, 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 0x0000020C48FB4FD0, 16 bytes long.
 Data: < &#216;&#249;H            > 98 D8 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C48FB0240, 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 0x0000020C48FB4B20, 16 bytes long.
 Data: <p&#216;&#249;H            > 70 D8 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C48FB4AD0, 16 bytes long.
 Data: <H&#216;&#249;H            > 48 D8 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C48FB4120, 16 bytes long.
 Data: < &#216;&#249;H            > 20 D8 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C48FB44E0, 16 bytes long.
 Data: <&#248;&#215;&#249;H            > F8 D7 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C48FB4A80, 16 bytes long.
 Data: <&#208;&#215;&#249;H            > D0 D7 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C48FB4260, 16 bytes long.
 Data: <&#168;&#215;&#249;H            > A8 D7 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C48FB03C0, 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 0x0000020C48FB4620, 16 bytes long.
 Data: < &#215;&#249;H            > 80 D7 F9 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C48F9D780, 320 bytes long.
 Data: < F&#251;H    &#192; &#251;H    > 20 46 FB 48 0C 02 00 00 C0 03 FB 48 0C 02 00 00 
{275} normal block at 0x0000020C48FB4DA0, 16 bytes long.
 Data: <&#224;b&#251;H            > E0 62 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C48FB4D00, 16 bytes long.
 Data: <&#184;b&#251;H            > B8 62 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C48FAFE20, 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 0x0000020C48FB4440, 16 bytes long.
 Data: < b&#251;H            > 90 62 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C48FB0540, 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 0x0000020C48FB4210, 16 bytes long.
 Data: <&#216;a&#251;H            > D8 61 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C48FB49E0, 16 bytes long.
 Data: <&#176;a&#251;H            > B0 61 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C48FB47B0, 16 bytes long.
 Data: < a&#251;H            > 88 61 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C48FB46C0, 16 bytes long.
 Data: <`a&#251;H            > 60 61 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C48FB4DF0, 16 bytes long.
 Data: <8a&#251;H            > 38 61 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C48FB4990, 16 bytes long.
 Data: < a&#251;H            > 10 61 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C48FB4760, 16 bytes long.
 Data: <&#240;&#223;&#250;H            > F0 DF FA 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C48FADFF0, 40 bytes long.
 Data: <`G&#251;H    &#224;k&#207;J    > 60 47 FB 48 0C 02 00 00 E0 6B CF 4A 0C 02 00 00 
{261} normal block at 0x0000020C48FB4850, 16 bytes long.
 Data: <&#240;`&#251;H            > F0 60 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C48FB4300, 16 bytes long.
 Data: <&#200;`&#251;H            > C8 60 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C48FB02A0, 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 0x0000020C48FB4670, 16 bytes long.
 Data: <&#160;`&#251;H            > A0 60 FB 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C48FB60A0, 992 bytes long.
 Data: <pF&#251;H    &#160; &#251;H    > 70 46 FB 48 0C 02 00 00 A0 02 FB 48 0C 02 00 00 
{93} normal block at 0x0000020C48FB0120, 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 0x0000020C48FA9B80, 16 bytes long.
 Data: <P&#228;&#250;H            > 50 E4 FA 48 0C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020C48FAE450, 40 bytes long.
 Data: < &#155;&#250;H      &#251;H    > 80 9B FA 48 0C 02 00 00 20 01 FB 48 0C 02 00 00 
{70} normal block at 0x0000020C48FA94F0, 16 bytes long.
 Data: < &#234; &#245;&#247;           > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020C48FA9C70, 16 bytes long.
 Data: <@&#233; &#245;&#247;           > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020C48FA92C0, 16 bytes long.
 Data: <&#248;W&#253;&#244;&#247;           > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C48FA96D0, 16 bytes long.
 Data: <&#216;W&#253;&#244;&#247;           > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C48FA94A0, 16 bytes long.
 Data: <P &#253;&#244;&#247;           > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C48FA9720, 16 bytes long.
 Data: <0 &#253;&#244;&#247;           > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C48FAA030, 16 bytes long.
 Data: <&#224; &#253;&#244;&#247;           > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C48FA9EA0, 16 bytes long.
 Data: <  &#253;&#244;&#247;           > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C48FA9E00, 16 bytes long.
 Data: <p &#253;&#244;&#247;           > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020C48FA9860, 16 bytes long.
 Data: < &#192;&#251;&#244;&#247;           > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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