Task 38671376

Name test_876-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1465_0
Workunit 31613584
Created 25 Oct 2026, 20:20:32 UTC
Sent 25 Oct 2026, 20:20:37 UTC
Report deadline 30 Oct 2026, 20:20:37 UTC
Received 25 Oct 2026, 23:33:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618719
Run time 2 hours 2 min 32 sec
CPU time 1 hours 54 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,538.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.85 MB
Peak swap size 2.20 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:35:12 (9628): wrapper (7.9.26016): starting
22:35:12 (9628): 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
22:35:16 (9628): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:35:16 (9628): 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\1\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\1\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
00:32:24 (9628): C:/Windows/system32/cmd.exe exited; CPU time 6881.796875
00:32:24 (9628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 73824183 bytes.
Dumping objects ->
{3835251} normal block at 0x000001F65F8B1050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001F65F8B1E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001F65F8B1440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001F65F8B1EC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001F65F8B1830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001F65F9AB6A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001F65F9202B0, 145 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) : {3835162} normal block at 0x000001F65DE706D0, 8 bytes long.
 Data: <  &#225;]&#246;   > 00 00 E1 5D F6 01 00 00 
{3834548} normal block at 0x000001F65F920FB0, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001F65DE70680, 8 bytes long.
 Data: <@&#223; _&#246;   > 40 DF 99 5F F6 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F65DE70990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F65DE5BAC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001F65DE66210, 16 bytes long.
 Data: <&#184; &#231;]&#246;           > B8 1F E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F65DE66120, 16 bytes long.
 Data: <  &#231;]&#246;           > 90 1F E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F65DE6C6E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001F65DE660D0, 16 bytes long.
 Data: <h &#231;]&#246;           > 68 1F E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F65DE66080, 16 bytes long.
 Data: <@ &#231;]&#246;           > 40 1F E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F65DE66030, 16 bytes long.
 Data: <  &#231;]&#246;           > 18 1F E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F65DE65D10, 16 bytes long.
 Data: <&#240; &#231;]&#246;           > F0 1E E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F65DE6AA00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001F65DE65CC0, 16 bytes long.
 Data: <x&#189;&#230;]&#246;           > 78 BD E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F65DE6CAA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001F65DE65F40, 16 bytes long.
 Data: <P&#189;&#230;]&#246;           > 50 BD E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F65DE66710, 16 bytes long.
 Data: <(&#189;&#230;]&#246;           > 28 BD E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F65DE65E50, 16 bytes long.
 Data: < &#189;&#230;]&#246;           > 00 BD E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F65DE66440, 16 bytes long.
 Data: <&#216;&#188;&#230;]&#246;           > D8 BC E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F65DE70540, 16 bytes long.
 Data: <&#176;&#188;&#230;]&#246;           > B0 BC E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F65DE704A0, 16 bytes long.
 Data: < &#188;&#230;]&#246;           > 88 BC E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F65DE6C980, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001F65DE70450, 16 bytes long.
 Data: <`&#188;&#230;]&#246;           > 60 BC E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F65DE6BC60, 320 bytes long.
 Data: <P &#231;]&#246;    &#201;&#230;]&#246;   > 50 04 E7 5D F6 01 00 00 80 C9 E6 5D F6 01 00 00 
{268} normal block at 0x000001F65DE703B0, 16 bytes long.
 Data: <&#208; &#231;]&#246;           > D0 1E E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F65DE705E0, 16 bytes long.
 Data: <&#168; &#231;]&#246;           > A8 1E E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F65DE6C860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001F65DE70360, 16 bytes long.
 Data: <  &#231;]&#246;           > 80 1E E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F65DE6C800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001F65DE70180, 16 bytes long.
 Data: <&#200; &#231;]&#246;           > C8 1D E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F65DE704F0, 16 bytes long.
 Data: <&#160; &#231;]&#246;           > A0 1D E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F65DE700E0, 16 bytes long.
 Data: <x &#231;]&#246;           > 78 1D E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F65DE70310, 16 bytes long.
 Data: <P &#231;]&#246;           > 50 1D E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F65DE70590, 16 bytes long.
 Data: <( &#231;]&#246;           > 28 1D E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F65DE70400, 16 bytes long.
 Data: <  &#231;]&#246;           > 00 1D E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F65DE70130, 16 bytes long.
 Data: < &#169;&#230;]&#246;           > 90 A9 E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F65DE6A990, 40 bytes long.
 Data: <0 &#231;]&#246;   &#160;&#182;&#154;_&#246;   > 30 01 E7 5D F6 01 00 00 A0 B6 9A 5F F6 01 00 00 
{254} normal block at 0x000001F65DE701D0, 16 bytes long.
 Data: <&#224; &#231;]&#246;           > E0 1C E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F65DE70090, 16 bytes long.
 Data: <&#184; &#231;]&#246;           > B8 1C E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001F65DE6C7A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001F65DE70630, 16 bytes long.
 Data: <  &#231;]&#246;           > 90 1C E7 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001F65DE71C90, 992 bytes long.
 Data: <0 &#231;]&#246;   &#160;&#199;&#230;]&#246;   > 30 06 E7 5D F6 01 00 00 A0 C7 E6 5D F6 01 00 00 
{86} normal block at 0x000001F65DE6C560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001F65DE664E0, 16 bytes long.
 Data: <@&#175;&#230;]&#246;           > 40 AF E6 5D F6 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001F65DE6AF40, 40 bytes long.
 Data: <&#224;d&#230;]&#246;   `&#197;&#230;]&#246;   > E0 64 E6 5D F6 01 00 00 60 C5 E6 5D F6 01 00 00 
{63} normal block at 0x000001F65DE66490, 16 bytes long.
 Data: < &#234;&#154;&#165;&#246;           > 80 EA 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F65DE666C0, 16 bytes long.
 Data: <@&#233;&#154;&#165;&#246;           > 40 E9 9A A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F65DE65FE0, 16 bytes long.
 Data: <&#248;W&#151;&#165;&#246;           > F8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F65DE66B70, 16 bytes long.
 Data: <&#216;W&#151;&#165;&#246;           > D8 57 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F65DE662B0, 16 bytes long.
 Data: <P &#151;&#165;&#246;           > 50 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F65DE66940, 16 bytes long.
 Data: <0 &#151;&#165;&#246;           > 30 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F65DE668F0, 16 bytes long.
 Data: <&#224; &#151;&#165;&#246;           > E0 02 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F65DE66850, 16 bytes long.
 Data: <  &#151;&#165;&#246;           > 10 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F65DE66760, 16 bytes long.
 Data: <p &#151;&#165;&#246;           > 70 04 97 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001F65DE667B0, 16 bytes long.
 Data: < &#192;&#149;&#165;&#246;           > 18 C0 95 A5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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