Task 38669572

Name test_356-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND7656_1
Workunit 31611869
Created 25 Oct 2026, 14:59:33 UTC
Sent 25 Oct 2026, 14:59:41 UTC
Report deadline 30 Oct 2026, 14:59:41 UTC
Received 25 Oct 2026, 15:52:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 41 min 55 sec
CPU time 38 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.30 MB
Peak swap size 5.38 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:10:40 (16448): wrapper (7.9.26016): starting
16:10:40 (16448): 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
16:10:41 (16448): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:10:41 (16448): 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\10\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\10\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
16:51:30 (16448): C:/Windows/system32/cmd.exe exited; CPU time 2319.609375
16:51:30 (16448): 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: 34058085 bytes.
Dumping objects ->
{3835282} normal block at 0x00000169023CD610, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x00000169023CD7D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000016900634D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x0000016900634CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000016900635110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x00000169024144B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001690242EA20, 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) : {3835193} normal block at 0x000001690062EF10, 8 bytes long.
 Data: <  &#184; i   > 00 00 B8 00 69 01 00 00 
{3834569} normal block at 0x000001690242EAD0, 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 0x000001690062F1E0, 8 bytes long.
 Data: < >G i   > 80 3E 47 02 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001690062D820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000169006268F0, 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 0x0000016900636180, 16 bytes long.
 Data: <&#184;jc i           > B8 6A 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000169006360E0, 16 bytes long.
 Data: < jc i           > 90 6A 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000169006304D0, 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 0x0000016900636360, 16 bytes long.
 Data: <hjc i           > 68 6A 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016900636310, 16 bytes long.
 Data: <@jc i           > 40 6A 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016900635960, 16 bytes long.
 Data: < jc i           > 18 6A 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000169006363B0, 16 bytes long.
 Data: <&#240;ic i           > F0 69 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016900634F50, 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 0x0000016900636220, 16 bytes long.
 Data: <H&#244;a i           > 48 F4 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001690062FED0, 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 0x0000016900636540, 16 bytes long.
 Data: < &#244;a i           > 20 F4 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016900635A00, 16 bytes long.
 Data: <&#248;&#243;a i           > F8 F3 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016900635D70, 16 bytes long.
 Data: <&#208;&#243;a i           > D0 F3 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016900635C80, 16 bytes long.
 Data: <&#168;&#243;a i           > A8 F3 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016900636270, 16 bytes long.
 Data: < &#243;a i           > 80 F3 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016900636130, 16 bytes long.
 Data: <X&#243;a i           > 58 F3 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016900630230, 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 0x0000016900635E10, 16 bytes long.
 Data: <0&#243;a i           > 30 F3 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001690061F330, 320 bytes long.
 Data: < ^c i   0 c i   > 10 5E 63 00 69 01 00 00 30 02 63 00 69 01 00 00 
{276} normal block at 0x0000016900635FF0, 16 bytes long.
 Data: <&#208;ic i           > D0 69 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000169006357D0, 16 bytes long.
 Data: <&#168;ic i           > A8 69 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001690062FF30, 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 0x0000016900635E60, 16 bytes long.
 Data: < ic i           > 80 69 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001690062FF90, 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 0x00000169006358C0, 16 bytes long.
 Data: <&#200;hc i           > C8 68 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000169006359B0, 16 bytes long.
 Data: <&#160;hc i           > A0 68 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016900636630, 16 bytes long.
 Data: <xhc i           > 78 68 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000169006361D0, 16 bytes long.
 Data: <Phc i           > 50 68 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016900635820, 16 bytes long.
 Data: <(hc i           > 28 68 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016900635910, 16 bytes long.
 Data: < hc i           > 00 68 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016900636720, 16 bytes long.
 Data: < Nc i           > 00 4E 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016900634E00, 40 bytes long.
 Data: < gc i   &#176;DA i   > 20 67 63 00 69 01 00 00 B0 44 41 02 69 01 00 00 
{262} normal block at 0x00000169006366D0, 16 bytes long.
 Data: <&#224;gc i           > E0 67 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016900635B90, 16 bytes long.
 Data: <&#184;gc i           > B8 67 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000169006301D0, 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 0x0000016900635F50, 16 bytes long.
 Data: < gc i           > 90 67 63 00 69 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016900636790, 992 bytes long.
 Data: <P_c i   &#208; c i   > 50 5F 63 00 69 01 00 00 D0 01 63 00 69 01 00 00 
{94} normal block at 0x000001690062FFF0, 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 0x000001690062F910, 16 bytes long.
 Data: <@&#212;a i           > 40 D4 61 00 69 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001690061D440, 40 bytes long.
 Data: < &#249;b i   &#240; b i   > 10 F9 62 00 69 01 00 00 F0 FF 62 00 69 01 00 00 
{71} normal block at 0x000001690062F730, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001690062ED80, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001690062ED30, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001690062F0A0, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001690062F5A0, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001690062F500, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001690062F410, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001690062F3C0, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001690062EE20, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001690062EF60, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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