Task 38688516

Name test_920-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND1622_0
Workunit 31629860
Created 28 Oct 2026, 14:28:37 UTC
Sent 28 Oct 2026, 14:28:44 UTC
Report deadline 2 Nov 2026, 14:28:44 UTC
Received 28 Oct 2026, 15:08:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652822
Run time 33 min 40 sec
CPU time 32 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 776.75 MB
Peak swap size 24.99 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:36:11 (37284): wrapper (7.9.26016): starting
09:36:11 (37284): 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
09:36:13 (37284): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:36:13 (37284): 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\1\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\1\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
10:08:40 (37284): C:/Windows/system32/cmd.exe exited; CPU time 1960.234375
10:08:40 (37284): 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: 36098067 bytes.
Dumping objects ->
{3835253} normal block at 0x00000246817348E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000024681734800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000024681734870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000024681734790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000024681734C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000002468369A630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x00000246836E8D70, 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) : {3835164} normal block at 0x000002468172F340, 8 bytes long.
 Data: <  ,&#131;F   > 00 00 2C 83 46 02 00 00 
{3834553} normal block at 0x00000246836E8950, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002468172EB20, 8 bytes long.
 Data: < ?o&#131;F   > 00 3F 6F 83 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024681730AF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000246817261A0, 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 0x0000024681736670, 16 bytes long.
 Data: <xVs F           > 78 56 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024681735E50, 16 bytes long.
 Data: <PVs F           > 50 56 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024681730460, 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 0x0000024681735EF0, 16 bytes long.
 Data: <(Vs F           > 28 56 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024681735E00, 16 bytes long.
 Data: < Vs F           > 00 56 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024681735900, 16 bytes long.
 Data: <&#216;Us F           > D8 55 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024681735860, 16 bytes long.
 Data: <&#176;Us F           > B0 55 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024681734D40, 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 0x00000246817366C0, 16 bytes long.
 Data: < &#231;r F           > 98 E7 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002468172FF80, 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 0x00000246817360D0, 16 bytes long.
 Data: <p&#231;r F           > 70 E7 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024681735F40, 16 bytes long.
 Data: <H&#231;r F           > 48 E7 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000246817364E0, 16 bytes long.
 Data: < &#231;r F           > 20 E7 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024681735AE0, 16 bytes long.
 Data: <&#248;&#230;r F           > F8 E6 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024681736440, 16 bytes long.
 Data: <&#208;&#230;r F           > D0 E6 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024681736490, 16 bytes long.
 Data: <&#168;&#230;r F           > A8 E6 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002468172FC20, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x0000024681736620, 16 bytes long.
 Data: < &#230;r F           > 80 E6 72 81 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002468172E680, 320 bytes long.
 Data: < fs F    &#252;r F   > 20 66 73 81 46 02 00 00 20 FC 72 81 46 02 00 00 
{274} normal block at 0x0000024681735D10, 16 bytes long.
 Data: < Us F           > 90 55 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024681735810, 16 bytes long.
 Data: <hUs F           > 68 55 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002468172F980, 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 0x0000024681735FE0, 16 bytes long.
 Data: <@Us F           > 40 55 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002468172FE00, 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 0x0000024681735F90, 16 bytes long.
 Data: < Ts F           > 88 54 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024681736710, 16 bytes long.
 Data: <`Ts F           > 60 54 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024681735DB0, 16 bytes long.
 Data: <8Ts F           > 38 54 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024681735A90, 16 bytes long.
 Data: < Ts F           > 10 54 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024681735C20, 16 bytes long.
 Data: <&#232;Ss F           > E8 53 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002468172F5C0, 16 bytes long.
 Data: <&#192;Ss F           > C0 53 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002468172F2F0, 16 bytes long.
 Data: <&#208;Ls F           > D0 4C 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024681734CD0, 40 bytes long.
 Data: <&#240;&#242;r F   0&#166;i&#131;F   > F0 F2 72 81 46 02 00 00 30 A6 69 83 46 02 00 00 
{260} normal block at 0x000002468172F1B0, 16 bytes long.
 Data: <&#160;Ss F           > A0 53 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002468172F110, 16 bytes long.
 Data: <xSs F           > 78 53 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000246817305E0, 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 0x000002468172F570, 16 bytes long.
 Data: <PSs F           > 50 53 73 81 46 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024681735350, 992 bytes long.
 Data: <p&#245;r F   &#224; s F   > 70 F5 72 81 46 02 00 00 E0 05 73 81 46 02 00 00 
{92} normal block at 0x000002468172FF20, 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 0x000002468172EA80, 16 bytes long.
 Data: < &#194;q F           > 80 C2 71 81 46 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002468171C280, 40 bytes long.
 Data: < &#234;r F    &#255;r F   > 80 EA 72 81 46 02 00 00 20 FF 72 81 46 02 00 00 
{69} normal block at 0x000002468172EE90, 16 bytes long.
 Data: < &#234;&#178;:&#247;           > 80 EA B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002468172F430, 16 bytes long.
 Data: <@&#233;&#178;:&#247;           > 40 E9 B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002468172EF80, 16 bytes long.
 Data: <&#248;W&#175;:&#247;           > F8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002468172EE40, 16 bytes long.
 Data: <&#216;W&#175;:&#247;           > D8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002468172E9E0, 16 bytes long.
 Data: <P &#175;:&#247;           > 50 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002468172E8A0, 16 bytes long.
 Data: <0 &#175;:&#247;           > 30 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002468172F750, 16 bytes long.
 Data: <&#224; &#175;:&#247;           > E0 02 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002468172F200, 16 bytes long.
 Data: <  &#175;:&#247;           > 10 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002468172E990, 16 bytes long.
 Data: <p &#175;:&#247;           > 70 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002468172EBC0, 16 bytes long.
 Data: < &#192;&#173;:&#247;           > 18 C0 AD 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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