Task 38683827

Name test_555-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3763_0
Workunit 31625370
Created 27 Oct 2026, 13:31:05 UTC
Sent 27 Oct 2026, 13:31:18 UTC
Report deadline 1 Nov 2026, 13:31:18 UTC
Received 27 Oct 2026, 15:38:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627864
Run time 1 hours 26 min 39 sec
CPU time 1 hours 22 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,849.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.73 MB
Peak swap size 6.91 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:11:51 (25656): wrapper (7.9.26016): starting
15:11:51 (25656): 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
15:11:53 (25656): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:11:53 (25656): 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\3\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\3\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
16:36:43 (25656): C:/Windows/system32/cmd.exe exited; CPU time 4948.062500
16:36:43 (25656): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 108377913 bytes.
Dumping objects ->
{3835456} normal block at 0x00000235BE72F470, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835445} normal block at 0x00000235BE72FB00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x00000235BE72F390, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835423} normal block at 0x00000235BE72F080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835412} normal block at 0x00000235BE72FDA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835381} normal block at 0x00000235C0340CF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835370} normal block at 0x00000235BE761DE0, 140 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) : {3835367} normal block at 0x00000235BE701890, 8 bytes long.
 Data: <  &#181;&#190;5   > 00 00 B5 BE 35 02 00 00 
{3834652} normal block at 0x00000235BE761900, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000235BE701B60, 8 bytes long.
 Data: < &#233;n&#190;5   > 90 E9 6E BE 35 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000235BE6FD1F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000235BE6F62F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000235BE709C60, 16 bytes long.
 Data: <x&#172;p&#190;5           > 78 AC 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000235BE70A8E0, 16 bytes long.
 Data: <P&#172;p&#190;5           > 50 AC 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000235BE703970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000235BE70A890, 16 bytes long.
 Data: <(&#172;p&#190;5           > 28 AC 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000235BE709EE0, 16 bytes long.
 Data: < &#172;p&#190;5           > 00 AC 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000235BE70A390, 16 bytes long.
 Data: <&#216;&#171;p&#190;5           > D8 AB 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000235BE70A6B0, 16 bytes long.
 Data: <&#176;&#171;p&#190;5           > B0 AB 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000235BE705710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000235BE70A340, 16 bytes long.
 Data: <&#248;&#243;n&#190;5           > F8 F3 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000235BE703CD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000235BE70A840, 16 bytes long.
 Data: <&#208;&#243;n&#190;5           > D0 F3 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000235BE70A2A0, 16 bytes long.
 Data: <&#168;&#243;n&#190;5           > A8 F3 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000235BE709AD0, 16 bytes long.
 Data: < &#243;n&#190;5           > 80 F3 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000235BE709E90, 16 bytes long.
 Data: <X&#243;n&#190;5           > 58 F3 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000235BE70A7A0, 16 bytes long.
 Data: <0&#243;n&#190;5           > 30 F3 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000235BE709BC0, 16 bytes long.
 Data: < &#243;n&#190;5           > 08 F3 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000235BE7037F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000235BE709FD0, 16 bytes long.
 Data: <&#224;&#242;n&#190;5           > E0 F2 6E BE 35 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000235BE6EF2E0, 320 bytes long.
 Data: <&#208;&#159;p&#190;5   &#240;7p&#190;5   > D0 9F 70 BE 35 02 00 00 F0 37 70 BE 35 02 00 00 
{275} normal block at 0x00000235BE70A2F0, 16 bytes long.
 Data: < &#171;p&#190;5           > 90 AB 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000235BE709B70, 16 bytes long.
 Data: <h&#171;p&#190;5           > 68 AB 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000235BE703A90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000235BE70A430, 16 bytes long.
 Data: <@&#171;p&#190;5           > 40 AB 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000235BE7043F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000235BE709C10, 16 bytes long.
 Data: < &#170;p&#190;5           > 88 AA 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000235BE70A570, 16 bytes long.
 Data: <`&#170;p&#190;5           > 60 AA 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000235BE70A660, 16 bytes long.
 Data: <8&#170;p&#190;5           > 38 AA 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000235BE709F80, 16 bytes long.
 Data: < &#170;p&#190;5           > 10 AA 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000235BE70A250, 16 bytes long.
 Data: <&#232;&#169;p&#190;5           > E8 A9 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000235BE70A750, 16 bytes long.
 Data: <&#192;&#169;p&#190;5           > C0 A9 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000235BE709DF0, 16 bytes long.
 Data: <&#160;Vp&#190;5           > A0 56 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000235BE7056A0, 40 bytes long.
 Data: <&#240; p&#190;5   &#240; 4&#192;5   > F0 9D 70 BE 35 02 00 00 F0 0C 34 C0 35 02 00 00 
{261} normal block at 0x00000235BE70A200, 16 bytes long.
 Data: <&#160;&#169;p&#190;5           > A0 A9 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000235BE70A020, 16 bytes long.
 Data: <x&#169;p&#190;5           > 78 A9 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000235BE7038B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000235BE7099E0, 16 bytes long.
 Data: <P&#169;p&#190;5           > 50 A9 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000235BE70A950, 992 bytes long.
 Data: <&#224; p&#190;5   &#176;8p&#190;5   > E0 99 70 BE 35 02 00 00 B0 38 70 BE 35 02 00 00 
{93} normal block at 0x00000235BE7039D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000235BE7021A0, 16 bytes long.
 Data: <0Vp&#190;5           > 30 56 70 BE 35 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000235BE705630, 40 bytes long.
 Data: <&#160;!p&#190;5   &#208;9p&#190;5   > A0 21 70 BE 35 02 00 00 D0 39 70 BE 35 02 00 00 
{70} normal block at 0x00000235BE7017F0, 16 bytes long.
 Data: < &#234;&#242;E&#246;           > 80 EA F2 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000235BE701E80, 16 bytes long.
 Data: <@&#233;&#242;E&#246;           > 40 E9 F2 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000235BE7021F0, 16 bytes long.
 Data: <&#248;W&#239;E&#246;           > F8 57 EF 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000235BE701ED0, 16 bytes long.
 Data: <&#216;W&#239;E&#246;           > D8 57 EF 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000235BE701840, 16 bytes long.
 Data: <P &#239;E&#246;           > 50 04 EF 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000235BE701FC0, 16 bytes long.
 Data: <0 &#239;E&#246;           > 30 04 EF 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000235BE701F20, 16 bytes long.
 Data: <&#224; &#239;E&#246;           > E0 02 EF 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000235BE701A70, 16 bytes long.
 Data: <  &#239;E&#246;           > 10 04 EF 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000235BE701700, 16 bytes long.
 Data: <p &#239;E&#246;           > 70 04 EF 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000235BE701E30, 16 bytes long.
 Data: < &#192;&#237;E&#246;           > 18 C0 ED 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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