Task 38685178

Name test_989-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6001_1
Workunit 31626623
Created 27 Oct 2026, 19:49:06 UTC
Sent 27 Oct 2026, 19:49:13 UTC
Report deadline 1 Nov 2026, 19:49:13 UTC
Received 27 Oct 2026, 20:11:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 22 min 2 sec
CPU time 18 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.01 MB
Peak swap size 13.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:50:31 (63840): wrapper (7.9.26016): starting
14:50:31 (63840): 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
14:50:33 (63840): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:50:33 (63840): 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
15:11:24 (63840): C:/Windows/system32/cmd.exe exited; CPU time 1124.781250
15:11:24 (63840): 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: 36242175 bytes.
Dumping objects ->
{3835311} normal block at 0x00000281F576B760, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x00000281F576B450, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x00000281F576AFF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x00000281F576BA70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x00000281F576BA00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x00000281F755CED0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000281F75BE840, 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) : {3835222} normal block at 0x00000281F573E580, 8 bytes long.
 Data: <  &#195;&#245;    > 00 00 C3 F5 81 02 00 00 
{3834575} normal block at 0x00000281F75BEE70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000281F573E800, 8 bytes long.
 Data: <&#176;H`&#247;    > B0 48 60 F7 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000281F5736740, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000281F5737D70, 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 0x00000281F5746620, 16 bytes long.
 Data: <XXt&#245;            > 58 58 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000281F5745B80, 16 bytes long.
 Data: <0Xt&#245;            > 30 58 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000281F5740B30, 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 0x00000281F5746850, 16 bytes long.
 Data: < Xt&#245;            > 08 58 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000281F5746760, 16 bytes long.
 Data: <&#224;Wt&#245;            > E0 57 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000281F5746800, 16 bytes long.
 Data: <&#184;Wt&#245;            > B8 57 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000281F5745E00, 16 bytes long.
 Data: < Wt&#245;            > 90 57 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000281F5743EE0, 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 0x00000281F5746710, 16 bytes long.
 Data: < &#163;s&#245;            > 88 A3 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000281F5740A10, 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 0x00000281F5746580, 16 bytes long.
 Data: <`&#163;s&#245;            > 60 A3 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000281F5746080, 16 bytes long.
 Data: <8&#163;s&#245;            > 38 A3 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000281F5745EF0, 16 bytes long.
 Data: < &#163;s&#245;            > 10 A3 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000281F57459F0, 16 bytes long.
 Data: <&#232;&#162;s&#245;            > E8 A2 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000281F57466C0, 16 bytes long.
 Data: <&#192;&#162;s&#245;            > C0 A2 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000281F5745C70, 16 bytes long.
 Data: < &#162;s&#245;            > 98 A2 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000281F57403B0, 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 0x00000281F5746030, 16 bytes long.
 Data: <p&#162;s&#245;            > 70 A2 73 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000281F573A270, 320 bytes long.
 Data: <0`t&#245;    &#176; t&#245;    > 30 60 74 F5 81 02 00 00 B0 03 74 F5 81 02 00 00 
{276} normal block at 0x00000281F57463A0, 16 bytes long.
 Data: <pWt&#245;            > 70 57 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000281F5745C20, 16 bytes long.
 Data: <HWt&#245;            > 48 57 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000281F57409B0, 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 0x00000281F57461C0, 16 bytes long.
 Data: < Wt&#245;            > 20 57 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000281F5740AD0, 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 0x00000281F57463F0, 16 bytes long.
 Data: <hVt&#245;            > 68 56 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000281F57464E0, 16 bytes long.
 Data: <@Vt&#245;            > 40 56 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000281F57460D0, 16 bytes long.
 Data: < Vt&#245;            > 18 56 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000281F5745FE0, 16 bytes long.
 Data: <&#240;Ut&#245;            > F0 55 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000281F5745F90, 16 bytes long.
 Data: <&#200;Ut&#245;            > C8 55 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000281F573F250, 16 bytes long.
 Data: <&#160;Ut&#245;            > A0 55 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000281F573F160, 16 bytes long.
 Data: <0@t&#245;            > 30 40 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000281F5744030, 40 bytes long.
 Data: <`&#241;s&#245;    &#208;&#206;U&#247;    > 60 F1 73 F5 81 02 00 00 D0 CE 55 F7 81 02 00 00 
{262} normal block at 0x00000281F573E620, 16 bytes long.
 Data: < Ut&#245;            > 80 55 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000281F573EEE0, 16 bytes long.
 Data: <XUt&#245;            > 58 55 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000281F57401D0, 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 0x00000281F573ECB0, 16 bytes long.
 Data: <0Ut&#245;            > 30 55 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000281F5745530, 992 bytes long.
 Data: <&#176;&#236;s&#245;    &#208; t&#245;    > B0 EC 73 F5 81 02 00 00 D0 01 74 F5 81 02 00 00 
{94} normal block at 0x00000281F5740050, 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 0x00000281F573F3E0, 16 bytes long.
 Data: <@<t&#245;            > 40 3C 74 F5 81 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000281F5743C40, 40 bytes long.
 Data: <&#224;&#243;s&#245;    P t&#245;    > E0 F3 73 F5 81 02 00 00 50 00 74 F5 81 02 00 00 
{71} normal block at 0x00000281F573E990, 16 bytes long.
 Data: < &#234;2B&#247;           > 80 EA 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000281F573E850, 16 bytes long.
 Data: <@&#233;2B&#247;           > 40 E9 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000281F573F2F0, 16 bytes long.
 Data: <&#248;W/B&#247;           > F8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000281F573F430, 16 bytes long.
 Data: <&#216;W/B&#247;           > D8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000281F573E940, 16 bytes long.
 Data: <P /B&#247;           > 50 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000281F573EC10, 16 bytes long.
 Data: <0 /B&#247;           > 30 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000281F573E760, 16 bytes long.
 Data: <&#224; /B&#247;           > E0 02 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000281F573E530, 16 bytes long.
 Data: <  /B&#247;           > 10 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000281F573F1B0, 16 bytes long.
 Data: <p /B&#247;           > 70 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000281F573F390, 16 bytes long.
 Data: < &#192;-B&#247;           > 18 C0 2D 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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