Task 38655841

Name test_120-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND3932_0
Workunit 31599592
Created 24 Oct 2026, 10:03:27 UTC
Sent 24 Oct 2026, 10:03:35 UTC
Report deadline 29 Oct 2026, 10:03:35 UTC
Received 24 Oct 2026, 11:38:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616964
Run time 1 hours 32 min 11 sec
CPU time 1 hours 28 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,180.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.25 MB
Peak swap size 6.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:05:14 (1732): wrapper (7.9.26016): starting
13:05:14 (1732): 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
13:05:15 (1732): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:05:15 (1732): 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\20\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\20\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
14:37:14 (1732): C:/Windows/system32/cmd.exe exited; CPU time 5335.921875
14:37:14 (1732): 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: 80654877 bytes.
Dumping objects ->
{3835657} normal block at 0x000001F90616E0A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835646} normal block at 0x000001F90616DFC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835635} normal block at 0x000001F90616DAF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835624} normal block at 0x000001F904607800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835613} normal block at 0x000001F9046075D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835582} normal block at 0x000001F90615C290, 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) : {3835569} normal block at 0x000001F9045FFA80, 8 bytes long.
 Data: <  &#171; &#249;   > 00 00 AB 04 F9 01 00 00 
{3833961} normal block at 0x000001F9045FEEF0, 8 bytes long.
 Data: <&#240;&#233;m &#249;   > F0 E9 6D 04 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F9045FCDB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F9045F63A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F904609D80, 16 bytes long.
 Data: <H&#163;` &#249;           > 48 A3 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F904609A10, 16 bytes long.
 Data: < &#163;` &#249;           > 20 A3 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F9046051F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F9046092E0, 16 bytes long.
 Data: <&#248;&#162;` &#249;           > F8 A2 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F904609240, 16 bytes long.
 Data: <&#208;&#162;` &#249;           > D0 A2 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F904609EC0, 16 bytes long.
 Data: <&#168;&#162;` &#249;           > A8 A2 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F9046091F0, 16 bytes long.
 Data: < &#162;` &#249;           > 80 A2 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F904607870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F904609C40, 16 bytes long.
 Data: <&#184;&#233;^ &#249;           > B8 E9 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F904604710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F904609BA0, 16 bytes long.
 Data: < &#233;^ &#249;           > 90 E9 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F904609970, 16 bytes long.
 Data: <h&#233;^ &#249;           > 68 E9 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F904609C90, 16 bytes long.
 Data: <@&#233;^ &#249;           > 40 E9 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F9046098D0, 16 bytes long.
 Data: < &#233;^ &#249;           > 18 E9 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F904609B50, 16 bytes long.
 Data: <&#240;&#232;^ &#249;           > F0 E8 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F904609650, 16 bytes long.
 Data: <&#200;&#232;^ &#249;           > C8 E8 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F904604530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F904609420, 16 bytes long.
 Data: <&#160;&#232;^ &#249;           > A0 E8 5E 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F9045EE8A0, 320 bytes long.
 Data: < &#148;` &#249;   0E` &#249;   > 20 94 60 04 F9 01 00 00 30 45 60 04 F9 01 00 00 
{276} normal block at 0x000001F9046093D0, 16 bytes long.
 Data: <`&#162;` &#249;           > 60 A2 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F904609880, 16 bytes long.
 Data: <8&#162;` &#249;           > 38 A2 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F904604830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F904609600, 16 bytes long.
 Data: < &#162;` &#249;           > 10 A2 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F904605130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F904609740, 16 bytes long.
 Data: <X&#161;` &#249;           > 58 A1 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F904609BF0, 16 bytes long.
 Data: <0&#161;` &#249;           > 30 A1 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F904609D30, 16 bytes long.
 Data: < &#161;` &#249;           > 08 A1 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F904609830, 16 bytes long.
 Data: <&#224;&#160;` &#249;           > E0 A0 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F904609CE0, 16 bytes long.
 Data: <&#184;&#160;` &#249;           > B8 A0 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F904609470, 16 bytes long.
 Data: < &#160;` &#249;           > 90 A0 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F904609330, 16 bytes long.
 Data: <Py` &#249;           > 50 79 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F904607950, 40 bytes long.
 Data: <0&#147;` &#249;    &#194;  &#249;   > 30 93 60 04 F9 01 00 00 90 C2 15 06 F9 01 00 00 
{262} normal block at 0x000001F9046091A0, 16 bytes long.
 Data: <p&#160;` &#249;           > 70 A0 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F904609380, 16 bytes long.
 Data: <H&#160;` &#249;           > 48 A0 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F904604650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F9046097E0, 16 bytes long.
 Data: < &#160;` &#249;           > 20 A0 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F90460A020, 992 bytes long.
 Data: <&#224;&#151;` &#249;   PF` &#249;   > E0 97 60 04 F9 01 00 00 50 46 60 04 F9 01 00 00 
{94} normal block at 0x000001F904604FB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F9045FF1C0, 16 bytes long.
 Data: <@v` &#249;           > 40 76 60 04 F9 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F904607640, 40 bytes long.
 Data: <&#192;&#241;_ &#249;   &#176;O` &#249;   > C0 F1 5F 04 F9 01 00 00 B0 4F 60 04 F9 01 00 00 
{71} normal block at 0x000001F9045FF6C0, 16 bytes long.
 Data: < &#234;&#196;a&#247;           > 80 EA C4 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F9045FF8F0, 16 bytes long.
 Data: <@&#233;&#196;a&#247;           > 40 E9 C4 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F9045FFDA0, 16 bytes long.
 Data: <&#248;W&#193;a&#247;           > F8 57 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F9045FF4E0, 16 bytes long.
 Data: <&#216;W&#193;a&#247;           > D8 57 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F9045FF990, 16 bytes long.
 Data: <P &#193;a&#247;           > 50 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F9045FF300, 16 bytes long.
 Data: <0 &#193;a&#247;           > 30 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F9045FF670, 16 bytes long.
 Data: <&#224; &#193;a&#247;           > E0 02 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F9045FF2B0, 16 bytes long.
 Data: <  &#193;a&#247;           > 10 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F9045FF530, 16 bytes long.
 Data: <p &#193;a&#247;           > 70 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F9045FF3A0, 16 bytes long.
 Data: < &#192;&#191;a&#247;           > 18 C0 BF 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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