Task 38687523

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5245_0
Workunit 31628909
Created 28 Oct 2026, 8:17:18 UTC
Sent 28 Oct 2026, 8:17:21 UTC
Report deadline 2 Nov 2026, 8:17:21 UTC
Received 28 Oct 2026, 8:39:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641051
Run time 21 min 15 sec
CPU time 19 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.96 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:19:20 (30068): wrapper (7.9.26016): starting
04:19:20 (30068): 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
04:19:21 (30068): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:19:21 (30068): 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\32\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\32\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
04:38:44 (30068): C:/Windows/system32/cmd.exe exited; CPU time 1154.109375
04:38:44 (30068): 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: 24977289 bytes.
Dumping objects ->
{3835197} normal block at 0x00000214189B3980, 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 0x00000214189B38A0, 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 0x00000214189B3FA0, 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 0x00000214189B3D00, 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 0x00000214189B3AD0, 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 0x000002141AC06A60, 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 0x00000214189AE130, 8 bytes long.
 Data: <        > 00 00 90 18 14 02 00 00 
{3833959} normal block at 0x00000214189ADEB0, 8 bytes long.
 Data: <0 &#198;     > 30 13 C6 1A 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000214189A5BA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000214189B03A0, 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 0x00000214189B4A00, 16 bytes long.
 Data: < W&#155;             > 98 57 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000214189B5400, 16 bytes long.
 Data: <pW&#155;             > 70 57 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000214189AED90, 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 0x00000214189B53B0, 16 bytes long.
 Data: <HW&#155;             > 48 57 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000214189B4BE0, 16 bytes long.
 Data: < W&#155;             > 20 57 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000214189B49B0, 16 bytes long.
 Data: <&#248;V&#155;             > F8 56 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000214189B47D0, 16 bytes long.
 Data: <&#208;V&#155;             > D0 56 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000214189B3F30, 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 0x00000214189B52C0, 16 bytes long.
 Data: <X&#224;              > 58 E0 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214189AEF70, 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 0x00000214189B46E0, 16 bytes long.
 Data: <0&#224;              > 30 E0 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000214189B5220, 16 bytes long.
 Data: < &#224;              > 08 E0 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000214189B4A50, 16 bytes long.
 Data: <&#224;&#223;              > E0 DF 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000214189B4B40, 16 bytes long.
 Data: <&#184;&#223;              > B8 DF 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214189B51D0, 16 bytes long.
 Data: < &#223;              > 90 DF 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000214189B5360, 16 bytes long.
 Data: <h&#223;              > 68 DF 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214189AEC10, 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 0x00000214189B5130, 16 bytes long.
 Data: <@&#223;              > 40 DF 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002141899DF40, 320 bytes long.
 Data: <0Q&#155;      &#236;&#154;     > 30 51 9B 18 14 02 00 00 10 EC 9A 18 14 02 00 00 
{275} normal block at 0x00000214189B5090, 16 bytes long.
 Data: <&#176;V&#155;             > B0 56 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000214189B4E10, 16 bytes long.
 Data: < V&#155;             > 88 56 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000214189AEE50, 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 0x00000214189B4B90, 16 bytes long.
 Data: <`V&#155;             > 60 56 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214189AEA30, 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 0x00000214189B5180, 16 bytes long.
 Data: <&#168;U&#155;             > A8 55 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000214189B4DC0, 16 bytes long.
 Data: < U&#155;             > 80 55 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000214189B4C80, 16 bytes long.
 Data: <XU&#155;             > 58 55 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000214189B5040, 16 bytes long.
 Data: <0U&#155;             > 30 55 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000214189B4D70, 16 bytes long.
 Data: < U&#155;             > 08 55 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214189B4D20, 16 bytes long.
 Data: <&#224;T&#155;             > E0 54 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214189B50E0, 16 bytes long.
 Data: < 9&#155;             > 10 39 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000214189B3910, 40 bytes long.
 Data: <&#224;P&#155;     `j&#192;     > E0 50 9B 18 14 02 00 00 60 6A C0 1A 14 02 00 00 
{261} normal block at 0x00000214189B48C0, 16 bytes long.
 Data: <&#192;T&#155;             > C0 54 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000214189B4FF0, 16 bytes long.
 Data: < T&#155;             > 98 54 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000214189AF330, 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 0x00000214189B4FA0, 16 bytes long.
 Data: <pT&#155;             > 70 54 9B 18 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000214189B5470, 992 bytes long.
 Data: <&#160;O&#155;     0&#243;&#154;     > A0 4F 9B 18 14 02 00 00 30 F3 9A 18 14 02 00 00 
{93} normal block at 0x00000214189AF2D0, 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 0x00000214189ADD70, 16 bytes long.
 Data: < &#194;              > 00 C2 99 18 14 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002141899C200, 40 bytes long.
 Data: <p&#221;&#154;     &#208;&#242;&#154;     > 70 DD 9A 18 14 02 00 00 D0 F2 9A 18 14 02 00 00 
{70} normal block at 0x00000214189ADAA0, 16 bytes long.
 Data: < &#234;&#216;&#160;&#247;           > 80 EA D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000214189ADDC0, 16 bytes long.
 Data: <@&#233;&#216;&#160;&#247;           > 40 E9 D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000214189AE4A0, 16 bytes long.
 Data: <&#248;W&#213;&#160;&#247;           > F8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000214189AE2C0, 16 bytes long.
 Data: <&#216;W&#213;&#160;&#247;           > D8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000214189AE450, 16 bytes long.
 Data: <P &#213;&#160;&#247;           > 50 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000214189AE270, 16 bytes long.
 Data: <0 &#213;&#160;&#247;           > 30 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000214189AE0E0, 16 bytes long.
 Data: <&#224; &#213;&#160;&#247;           > E0 02 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000214189AE8B0, 16 bytes long.
 Data: <  &#213;&#160;&#247;           > 10 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000214189AE6D0, 16 bytes long.
 Data: <p &#213;&#160;&#247;           > 70 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000214189AE400, 16 bytes long.
 Data: < &#192;&#211;&#160;&#247;           > 18 C0 D3 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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