Task 38685554

Name test_423-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7893_0
Workunit 31627018
Created 27 Oct 2026, 21:39:54 UTC
Sent 27 Oct 2026, 21:40:00 UTC
Report deadline 1 Nov 2026, 21:40:00 UTC
Received 27 Oct 2026, 22:11:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597137
Run time 30 min 2 sec
CPU time 27 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.50 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:41:14 (32032): wrapper (7.9.26016): starting
16:41:14 (32032): 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
16:41:16 (32032): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:16 (32032): 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
17:10:09 (32032): C:/Windows/system32/cmd.exe exited; CPU time 1675.890625
17:10:09 (32032): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 35650223 bytes.
Dumping objects ->
{3835239} normal block at 0x000001B22E691840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001B22E6917D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001B22E691760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x000001B22E691D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001B22E691C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000001B23041B600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001B22E67F2E0, 255 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) : {3835150} normal block at 0x000001B22E68C5C0, 8 bytes long.
 Data: <   0&#178;   > 00 00 1E 30 B2 01 00 00 
{3834551} normal block at 0x000001B22E67F060, 255 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001B22E68CE30, 8 bytes long.
 Data: < XS0&#178;   > 00 58 53 30 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001B22E67F1A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B22E67A1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001B22E692A40, 16 bytes long.
 Data: <&#232;5i.&#178;           > E8 35 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B22E6924A0, 16 bytes long.
 Data: <&#192;5i.&#178;           > C0 35 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B22E68D590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001B22E692180, 16 bytes long.
 Data: < 5i.&#178;           > 98 35 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B22E6921D0, 16 bytes long.
 Data: <p5i.&#178;           > 70 35 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B22E6920E0, 16 bytes long.
 Data: <H5i.&#178;           > 48 35 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B22E692360, 16 bytes long.
 Data: < 5i.&#178;           > 20 35 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B22E691990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001B22E692090, 16 bytes long.
 Data: <&#200;&#215;g.&#178;           > C8 D7 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B22E68DC50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001B22E6926D0, 16 bytes long.
 Data: <&#160;&#215;g.&#178;           > A0 D7 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B22E691FA0, 16 bytes long.
 Data: <x&#215;g.&#178;           > 78 D7 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B22E692680, 16 bytes long.
 Data: <P&#215;g.&#178;           > 50 D7 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B22E692C70, 16 bytes long.
 Data: <(&#215;g.&#178;           > 28 D7 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B22E692AE0, 16 bytes long.
 Data: < &#215;g.&#178;           > 00 D7 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B22E6928B0, 16 bytes long.
 Data: <&#216;&#214;g.&#178;           > D8 D6 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B22E68D710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001B22E692720, 16 bytes long.
 Data: <&#176;&#214;g.&#178;           > B0 D6 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B22E67D6B0, 320 bytes long.
 Data: < 'i.&#178;    &#215;h.&#178;   > 20 27 69 2E B2 01 00 00 10 D7 68 2E B2 01 00 00 
{269} normal block at 0x000001B22E692A90, 16 bytes long.
 Data: < 5i.&#178;           > 00 35 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B22E692C20, 16 bytes long.
 Data: <&#216;4i.&#178;           > D8 34 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B22E68DE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001B22E691F00, 16 bytes long.
 Data: <&#176;4i.&#178;           > B0 34 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B22E68D5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001B22E692130, 16 bytes long.
 Data: <&#248;3i.&#178;           > F8 33 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B22E692BD0, 16 bytes long.
 Data: <&#208;3i.&#178;           > D0 33 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B22E692040, 16 bytes long.
 Data: <&#168;3i.&#178;           > A8 33 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B22E692E50, 16 bytes long.
 Data: < 3i.&#178;           > 80 33 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B22E692B80, 16 bytes long.
 Data: <X3i.&#178;           > 58 33 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B22E692E00, 16 bytes long.
 Data: <03i.&#178;           > 30 33 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B22E692900, 16 bytes long.
 Data: <P i.&#178;           > 50 1B 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B22E691B50, 40 bytes long.
 Data: < )i.&#178;    &#182;A0&#178;   > 00 29 69 2E B2 01 00 00 00 B6 41 30 B2 01 00 00 
{255} normal block at 0x000001B22E692220, 16 bytes long.
 Data: < 3i.&#178;           > 10 33 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B22E692950, 16 bytes long.
 Data: <&#232;2i.&#178;           > E8 32 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B22E68D6B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001B22E692400, 16 bytes long.
 Data: <&#192;2i.&#178;           > C0 32 69 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B22E6932C0, 992 bytes long.
 Data: < $i.&#178;   &#176;&#214;h.&#178;   > 00 24 69 2E B2 01 00 00 B0 D6 68 2E B2 01 00 00 
{87} normal block at 0x000001B22E68D350, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001B22E68D060, 16 bytes long.
 Data: <&#160;&#174;g.&#178;           > A0 AE 67 2E B2 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001B22E67AEA0, 40 bytes long.
 Data: <`&#208;h.&#178;   P&#211;h.&#178;   > 60 D0 68 2E B2 01 00 00 50 D3 68 2E B2 01 00 00 
{64} normal block at 0x000001B22E68C700, 16 bytes long.
 Data: < &#234; &#138;&#247;           > 80 EA 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B22E68CF70, 16 bytes long.
 Data: <@&#233; &#138;&#247;           > 40 E9 81 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B22E68C340, 16 bytes long.
 Data: <&#248;W~&#138;&#247;           > F8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B22E68C890, 16 bytes long.
 Data: <&#216;W~&#138;&#247;           > D8 57 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B22E68CF20, 16 bytes long.
 Data: <P ~&#138;&#247;           > 50 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B22E68CC00, 16 bytes long.
 Data: <0 ~&#138;&#247;           > 30 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B22E68C3E0, 16 bytes long.
 Data: <&#224; ~&#138;&#247;           > E0 02 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B22E68C4D0, 16 bytes long.
 Data: <  ~&#138;&#247;           > 10 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B22E68CBB0, 16 bytes long.
 Data: <p ~&#138;&#247;           > 70 04 7E 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B22E68CED0, 16 bytes long.
 Data: < &#192;|&#138;&#247;           > 18 C0 7C 8A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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