Task 38685145

Name test_403-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1692_0
Workunit 31626628
Created 27 Oct 2026, 19:39:18 UTC
Sent 27 Oct 2026, 19:39:24 UTC
Report deadline 1 Nov 2026, 19:39:24 UTC
Received 27 Oct 2026, 20:33:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646363
Run time 46 min 28 sec
CPU time 42 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,611.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.50 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:45:00 (33568): wrapper (7.9.26016): starting
19:45:00 (33568): 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
19:45:05 (33568): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:45:05 (33568): 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 'D:\ProgramData\BOINC\slots\4\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 'D:\ProgramData\BOINC\slots\4\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
20:32:44 (33568): C:/Windows/system32/cmd.exe exited; CPU time 2572.125000
20:32:44 (33568): 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: 71463761 bytes.
Dumping objects ->
{3835471} normal block at 0x0000024175FF8F00, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000241743452C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x00000241743451E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x0000024174345090, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x00000241743455D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000024176008A00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835383} normal block at 0x000002417433FC80, 8 bytes long.
 Data: <  vtA   > 00 00 76 74 41 02 00 00 
{3833963} normal block at 0x000002417433F690, 8 bytes long.
 Data: <pW	vA   > 70 57 09 76 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024174341780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024174336DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024174346A60, 16 bytes long.
 Data: < o4tA           > 88 6F 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024174345F20, 16 bytes long.
 Data: <`o4tA           > 60 6F 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002417433DC10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000241743468D0, 16 bytes long.
 Data: <8o4tA           > 38 6F 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000241743462E0, 16 bytes long.
 Data: < o4tA           > 10 6F 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024174345CF0, 16 bytes long.
 Data: <&#232;n4tA           > E8 6E 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024174346920, 16 bytes long.
 Data: <&#192;n4tA           > C0 6E 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024174345330, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024174346790, 16 bytes long.
 Data: <X&#242;2tA           > 58 F2 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002417433DB50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024174346B00, 16 bytes long.
 Data: <0&#242;2tA           > 30 F2 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000241743464C0, 16 bytes long.
 Data: < &#242;2tA           > 08 F2 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024174346740, 16 bytes long.
 Data: <&#224;&#241;2tA           > E0 F1 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000241743466A0, 16 bytes long.
 Data: <&#184;&#241;2tA           > B8 F1 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024174346240, 16 bytes long.
 Data: < &#241;2tA           > 90 F1 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024174346880, 16 bytes long.
 Data: <h&#241;2tA           > 68 F1 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002417433DBB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000241743469C0, 16 bytes long.
 Data: <@&#241;2tA           > 40 F1 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002417432F140, 320 bytes long.
 Data: <&#192;i4tA   &#176;&#219;3tA   > C0 69 34 74 41 02 00 00 B0 DB 33 74 41 02 00 00 
{277} normal block at 0x0000024174346650, 16 bytes long.
 Data: <&#160;n4tA           > A0 6E 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024174346AB0, 16 bytes long.
 Data: <xn4tA           > 78 6E 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002417433E090, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024174346970, 16 bytes long.
 Data: <Pn4tA           > 50 6E 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002417433DAF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024174346830, 16 bytes long.
 Data: < m4tA           > 98 6D 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000241743461A0, 16 bytes long.
 Data: <pm4tA           > 70 6D 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024174346470, 16 bytes long.
 Data: <Hm4tA           > 48 6D 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024174346060, 16 bytes long.
 Data: < m4tA           > 20 6D 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000241743466F0, 16 bytes long.
 Data: <&#248;l4tA           > F8 6C 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000241743461F0, 16 bytes long.
 Data: <&#208;l4tA           > D0 6C 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024174346600, 16 bytes long.
 Data: <&#160;S4tA           > A0 53 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000241743453A0, 40 bytes long.
 Data: < f4tA    &#138; vA   > 00 66 34 74 41 02 00 00 00 8A 00 76 41 02 00 00 
{263} normal block at 0x00000241743467E0, 16 bytes long.
 Data: <&#176;l4tA           > B0 6C 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024174345D40, 16 bytes long.
 Data: < l4tA           > 88 6C 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002417433D790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024174346BA0, 16 bytes long.
 Data: <`l4tA           > 60 6C 34 74 41 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024174346C60, 992 bytes long.
 Data: <&#160;k4tA    &#215;3tA   > A0 6B 34 74 41 02 00 00 90 D7 33 74 41 02 00 00 
{95} normal block at 0x000002417433D5B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024174340360, 16 bytes long.
 Data: <&#208;&#240;2tA           > D0 F0 32 74 41 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002417432F0D0, 40 bytes long.
 Data: <` 4tA   &#176;&#213;3tA   > 60 03 34 74 41 02 00 00 B0 D5 33 74 41 02 00 00 
{72} normal block at 0x0000024174340220, 16 bytes long.
 Data: < &#234; &#160;&#246;           > 80 EA 14 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000241743401D0, 16 bytes long.
 Data: <@&#233; &#160;&#246;           > 40 E9 14 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000241743400E0, 16 bytes long.
 Data: <&#248;W &#160;&#246;           > F8 57 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002417433F870, 16 bytes long.
 Data: <&#216;W &#160;&#246;           > D8 57 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002417433FAA0, 16 bytes long.
 Data: <P  &#160;&#246;           > 50 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002417433FFF0, 16 bytes long.
 Data: <0  &#160;&#246;           > 30 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002417433FC30, 16 bytes long.
 Data: <&#224;  &#160;&#246;           > E0 02 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002417433F640, 16 bytes long.
 Data: <   &#160;&#246;           > 10 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024174340270, 16 bytes long.
 Data: <p  &#160;&#246;           > 70 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002417433FBE0, 16 bytes long.
 Data: < &#192; &#160;&#246;           > 18 C0 0F A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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