Task 38685616

Name test_564-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8186_0
Workunit 31627077
Created 27 Oct 2026, 22:03:37 UTC
Sent 27 Oct 2026, 22:03:37 UTC
Report deadline 1 Nov 2026, 22:03:37 UTC
Received 28 Oct 2026, 1:37:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590723
Run time 54 min 22 sec
CPU time 47 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.50 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:43:50 (22844): wrapper (7.9.26016): starting
19:43:50 (22844): 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
19:43:52 (22844): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:43:52 (22844): 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
20:37:15 (22844): C:/Windows/system32/cmd.exe exited; CPU time 2841.625000
20:37:15 (22844): 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: 49840659 bytes.
Dumping objects ->
{3835508} normal block at 0x00000197A8274C50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x00000197A8274BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x00000197A8274CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835475} normal block at 0x00000197A8274FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x00000197A8274B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835433} normal block at 0x00000197AA07BEB0, 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) : {3835420} normal block at 0x00000197A826EF60, 8 bytes long.
 Data: <   &#168;&#151;   > 00 00 20 A8 97 01 00 00 
{3833967} normal block at 0x00000197A826E510, 8 bytes long.
 Data: < = &#170;&#151;   > 20 3D 0D AA 97 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000197A8266900, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000197A8266F80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000197A8276130, 16 bytes long.
 Data: <hj'&#168;&#151;           > 68 6A 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000197A82764A0, 16 bytes long.
 Data: <@j'&#168;&#151;           > 40 6A 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000197A82701C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000197A8275D70, 16 bytes long.
 Data: < j'&#168;&#151;           > 18 6A 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000197A8275C30, 16 bytes long.
 Data: <&#240;i'&#168;&#151;           > F0 69 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000197A82762C0, 16 bytes long.
 Data: <&#200;i'&#168;&#151;           > C8 69 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000197A8276090, 16 bytes long.
 Data: <&#160;i'&#168;&#151;           > A0 69 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000197A8274DA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000197A8275D20, 16 bytes long.
 Data: <H&#160;&&#168;&#151;           > 48 A0 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000197A8270D60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000197A8275BE0, 16 bytes long.
 Data: < &#160;&&#168;&#151;           > 20 A0 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000197A8275FF0, 16 bytes long.
 Data: <&#248;&#159;&&#168;&#151;           > F8 9F 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000197A8275780, 16 bytes long.
 Data: <&#208;&#159;&&#168;&#151;           > D0 9F 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000197A8276270, 16 bytes long.
 Data: <&#168;&#159;&&#168;&#151;           > A8 9F 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000197A82760E0, 16 bytes long.
 Data: < &#159;&&#168;&#151;           > 80 9F 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000197A82765E0, 16 bytes long.
 Data: <X&#159;&&#168;&#151;           > 58 9F 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000197A8270940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000197A82758C0, 16 bytes long.
 Data: <0&#159;&&#168;&#151;           > 30 9F 26 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000197A8269F30, 320 bytes long.
 Data: <&#192;X'&#168;&#151;   @	'&#168;&#151;   > C0 58 27 A8 97 01 00 00 40 09 27 A8 97 01 00 00 
{279} normal block at 0x00000197A8275E60, 16 bytes long.
 Data: < i'&#168;&#151;           > 80 69 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000197A82763B0, 16 bytes long.
 Data: <Xi'&#168;&#151;           > 58 69 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000197A8270820, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000197A8275E10, 16 bytes long.
 Data: <0i'&#168;&#151;           > 30 69 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000197A82708E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000197A8276180, 16 bytes long.
 Data: <xh'&#168;&#151;           > 78 68 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000197A8275C80, 16 bytes long.
 Data: <Ph'&#168;&#151;           > 50 68 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000197A8275910, 16 bytes long.
 Data: <(h'&#168;&#151;           > 28 68 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000197A8275FA0, 16 bytes long.
 Data: < h'&#168;&#151;           > 00 68 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000197A8276360, 16 bytes long.
 Data: <&#216;g'&#168;&#151;           > D8 67 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000197A8275F50, 16 bytes long.
 Data: <&#176;g'&#168;&#151;           > B0 67 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000197A8275CD0, 16 bytes long.
 Data: <`O'&#168;&#151;           > 60 4F 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000197A8274F60, 40 bytes long.
 Data: <&#208;\'&#168;&#151;   &#176;&#190; &#170;&#151;   > D0 5C 27 A8 97 01 00 00 B0 BE 07 AA 97 01 00 00 
{265} normal block at 0x00000197A8276590, 16 bytes long.
 Data: < g'&#168;&#151;           > 90 67 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000197A8275EB0, 16 bytes long.
 Data: <hg'&#168;&#151;           > 68 67 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000197A8270160, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000197A8275F00, 16 bytes long.
 Data: <@g'&#168;&#151;           > 40 67 27 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000197A8276740, 992 bytes long.
 Data: < _'&#168;&#151;   ` '&#168;&#151;   > 00 5F 27 A8 97 01 00 00 60 01 27 A8 97 01 00 00 
{97} normal block at 0x00000197A82702E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000197A826E9C0, 16 bytes long.
 Data: < &#221;%&#168;&#151;           > 90 DD 25 A8 97 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000197A825DD90, 40 bytes long.
 Data: <&#192;&#233;&&#168;&#151;   &#224; '&#168;&#151;   > C0 E9 26 A8 97 01 00 00 E0 02 27 A8 97 01 00 00 
{74} normal block at 0x00000197A826EB50, 16 bytes long.
 Data: < &#234;&#160;&#176;&#246;           > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000197A826E6F0, 16 bytes long.
 Data: <@&#233;&#160;&#176;&#246;           > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000197A826F0F0, 16 bytes long.
 Data: <&#248;W &#176;&#246;           > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000197A826E600, 16 bytes long.
 Data: <&#216;W &#176;&#246;           > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000197A826EE20, 16 bytes long.
 Data: <P  &#176;&#246;           > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000197A826E880, 16 bytes long.
 Data: <0  &#176;&#246;           > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000197A826E1A0, 16 bytes long.
 Data: <&#224;  &#176;&#246;           > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000197A826EC40, 16 bytes long.
 Data: <   &#176;&#246;           > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000197A826EB00, 16 bytes long.
 Data: <p  &#176;&#246;           > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000197A826F000, 16 bytes long.
 Data: < &#192;&#155;&#176;&#246;           > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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