Task 38689438

Name test_787-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND9310_0
Workunit 31630692
Created 28 Oct 2026, 20:58:08 UTC
Sent 28 Oct 2026, 20:58:19 UTC
Report deadline 2 Nov 2026, 20:58:19 UTC
Received 28 Oct 2026, 21:53:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 43 min 30 sec
CPU time 38 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 814.28 MB
Peak swap size 9.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:11:44 (42684): wrapper (7.9.26016): starting
14:11:44 (42684): 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
14:11:46 (42684): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:11:46 (42684): 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\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 'C:\ProgramData\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
14:53:06 (42684): C:/Windows/system32/cmd.exe exited; CPU time 2307.812500
14:53:06 (42684): 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: 80859771 bytes.
Dumping objects ->
{3835516} normal block at 0x00000240719AB820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x00000240719AB430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x00000240719AB040, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x0000024071985EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x0000024071985E30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x0000024073659C10, 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) : {3835428} normal block at 0x000002407197E710, 8 bytes long.
 Data: <  &#226;q@   > 00 00 E2 71 40 02 00 00 
{3833971} normal block at 0x000002407197E760, 8 bytes long.
 Data: <&#208;&#226;&#150;q@   > D0 E2 96 71 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000024071980390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000240719776A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000024071986B90, 16 bytes long.
 Data: < z q@           > 18 7A 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024071986820, 16 bytes long.
 Data: <&#240;y q@           > F0 79 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024071980F20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000240719872C0, 16 bytes long.
 Data: <&#200;y q@           > C8 79 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024071987310, 16 bytes long.
 Data: <&#160;y q@           > A0 79 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024071987090, 16 bytes long.
 Data: <xy q@           > 78 79 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000240719874F0, 16 bytes long.
 Data: <Py q@           > 50 79 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024071985FF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000024071986780, 16 bytes long.
 Data: <&#248;&#253;&#150;q@           > F8 FD 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024071981640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000240719870E0, 16 bytes long.
 Data: <&#208;&#253;&#150;q@           > D0 FD 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000240719875E0, 16 bytes long.
 Data: <&#168;&#253;&#150;q@           > A8 FD 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024071987040, 16 bytes long.
 Data: < &#253;&#150;q@           > 80 FD 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024071987450, 16 bytes long.
 Data: <X&#253;&#150;q@           > 58 FD 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024071986910, 16 bytes long.
 Data: <0&#253;&#150;q@           > 30 FD 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024071986AA0, 16 bytes long.
 Data: < &#253;&#150;q@           > 08 FD 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024071980DA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000024071986C30, 16 bytes long.
 Data: <&#224;&#252;&#150;q@           > E0 FC 96 71 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002407196FCE0, 320 bytes long.
 Data: <0l q@   &#160;  q@   > 30 6C 98 71 40 02 00 00 A0 0D 98 71 40 02 00 00 
{281} normal block at 0x0000024071986FA0, 16 bytes long.
 Data: <0y q@           > 30 79 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024071987630, 16 bytes long.
 Data: < y q@           > 08 79 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024071980800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x0000024071986F50, 16 bytes long.
 Data: <&#224;x q@           > E0 78 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024071980BC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000024071986A50, 16 bytes long.
 Data: <(x q@           > 28 78 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024071986870, 16 bytes long.
 Data: < x q@           > 00 78 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024071986C80, 16 bytes long.
 Data: <&#216;w q@           > D8 77 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024071987590, 16 bytes long.
 Data: <&#176;w q@           > B0 77 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024071986730, 16 bytes long.
 Data: < w q@           > 88 77 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024071986F00, 16 bytes long.
 Data: <`w q@           > 60 77 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024071987680, 16 bytes long.
 Data: <p\ q@           > 70 5C 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024071985C70, 40 bytes long.
 Data: < v q@    &#156;es@   > 80 76 98 71 40 02 00 00 10 9C 65 73 40 02 00 00 
{267} normal block at 0x0000024071987180, 16 bytes long.
 Data: <@w q@           > 40 77 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024071986E60, 16 bytes long.
 Data: < w q@           > 18 77 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024071981160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000240719868C0, 16 bytes long.
 Data: <&#240;v q@           > F0 76 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000240719876F0, 992 bytes long.
 Data: <&#192;h q@   `  q@   > C0 68 98 71 40 02 00 00 60 11 98 71 40 02 00 00 
{99} normal block at 0x0000024071981400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002407197EE90, 16 bytes long.
 Data: < _ q@           > 80 5F 98 71 40 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000024071985F80, 40 bytes long.
 Data: < &#238;&#151;q@      q@   > 90 EE 97 71 40 02 00 00 00 14 98 71 40 02 00 00 
{76} normal block at 0x000002407197E8A0, 16 bytes long.
 Data: < &#234;&#240;&#173;&#247;           > 80 EA F0 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002407197E6C0, 16 bytes long.
 Data: <@&#233;&#240;&#173;&#247;           > 40 E9 F0 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002407197E850, 16 bytes long.
 Data: <&#248;W&#237;&#173;&#247;           > F8 57 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002407197EA80, 16 bytes long.
 Data: <&#216;W&#237;&#173;&#247;           > D8 57 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002407197E4E0, 16 bytes long.
 Data: <P &#237;&#173;&#247;           > 50 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002407197E940, 16 bytes long.
 Data: <0 &#237;&#173;&#247;           > 30 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002407197E670, 16 bytes long.
 Data: <&#224; &#237;&#173;&#247;           > E0 02 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002407197E990, 16 bytes long.
 Data: <  &#237;&#173;&#247;           > 10 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002407197EF30, 16 bytes long.
 Data: <p &#237;&#173;&#247;           > 70 04 ED AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002407197EE40, 16 bytes long.
 Data: < &#192;&#235;&#173;&#247;           > 18 C0 EB AD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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