Task 38668409

Name test_796-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8183_1
Workunit 31610920
Created 25 Oct 2026, 11:40:21 UTC
Sent 25 Oct 2026, 11:40:25 UTC
Report deadline 30 Oct 2026, 11:40:25 UTC
Received 25 Oct 2026, 12:09:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 18 sec
CPU time 27 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.42 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:41:39 (5580): wrapper (7.9.26016): starting
12:41:39 (5580): 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
12:41:40 (5580): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:41:40 (5580): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
13:08:56 (5580): C:/Windows/system32/cmd.exe exited; CPU time 1620.062500
13:08:56 (5580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 20006565 bytes.
Dumping objects ->
{3835241} normal block at 0x000001C60F5913C0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x000001C60F5919E0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x000001C60F591900, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x000001C60F5914A0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x000001C60F591890, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x000001C60F63E410, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x000001C60F727DB0, 160 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) : {3835152} normal block at 0x000001C60DA28AA0, 8 bytes long.
 Data: <  &#159; &#198;   > 00 00 9F 0D C6 01 00 00 
{3834548} normal block at 0x000001C60F727BF0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001C60DA28D20, 8 bytes long.
 Data: < &c &#198;   > 00 26 63 0F C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C60DA33BA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C60DA16300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001C60DA357C0, 16 bytes long.
 Data: < _&#163; &#198;           > 18 5F A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C60DA35630, 16 bytes long.
 Data: <&#240;^&#163; &#198;           > F0 5E A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C60DA2DF50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001C60DA34E10, 16 bytes long.
 Data: <&#200;^&#163; &#198;           > C8 5E A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C60DA35AE0, 16 bytes long.
 Data: <&#160;^&#163; &#198;           > A0 5E A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C60DA35770, 16 bytes long.
 Data: <x^&#163; &#198;           > 78 5E A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C60DA35720, 16 bytes long.
 Data: <P^&#163; &#198;           > 50 5E A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C60DA2FE10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001C60DA35590, 16 bytes long.
 Data: < b&#161; &#198;           > 98 62 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C60DA2E6D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001C60DA35540, 16 bytes long.
 Data: <pb&#161; &#198;           > 70 62 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C60DA35B30, 16 bytes long.
 Data: <Hb&#161; &#198;           > 48 62 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C60DA35310, 16 bytes long.
 Data: < b&#161; &#198;           > 20 62 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C60DA35A40, 16 bytes long.
 Data: <&#248;a&#161; &#198;           > F8 61 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C60DA35220, 16 bytes long.
 Data: <&#208;a&#161; &#198;           > D0 61 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C60DA350E0, 16 bytes long.
 Data: <&#168;a&#161; &#198;           > A8 61 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C60DA2DAD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001C60DA35090, 16 bytes long.
 Data: < a&#161; &#198;           > 80 61 A1 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C60DA16180, 320 bytes long.
 Data: < P&#163; &#198;   &#208;&#218;&#162; &#198;   > 90 50 A3 0D C6 01 00 00 D0 DA A2 0D C6 01 00 00 
{271} normal block at 0x000001C60DA34FF0, 16 bytes long.
 Data: <0^&#163; &#198;           > 30 5E A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C60DA355E0, 16 bytes long.
 Data: < ^&#163; &#198;           > 08 5E A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C60DA2DA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001C60DA35680, 16 bytes long.
 Data: <&#224;]&#163; &#198;           > E0 5D A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C60DA2E190, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001C60DA354F0, 16 bytes long.
 Data: <(]&#163; &#198;           > 28 5D A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C60DA354A0, 16 bytes long.
 Data: < ]&#163; &#198;           > 00 5D A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C60DA35360, 16 bytes long.
 Data: <&#216;\&#163; &#198;           > D8 5C A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C60DA352C0, 16 bytes long.
 Data: <&#176;\&#163; &#198;           > B0 5C A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C60DA34DC0, 16 bytes long.
 Data: < \&#163; &#198;           > 88 5C A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C60DA34FA0, 16 bytes long.
 Data: <`\&#163; &#198;           > 60 5C A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C60DA35180, 16 bytes long.
 Data: < &#251;&#162; &#198;           > 00 FB A2 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C60DA2FB00, 40 bytes long.
 Data: < Q&#163; &#198;    &#228;c &#198;   > 80 51 A3 0D C6 01 00 00 10 E4 63 0F C6 01 00 00 
{257} normal block at 0x000001C60DA34F50, 16 bytes long.
 Data: <@\&#163; &#198;           > 40 5C A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C60DA353B0, 16 bytes long.
 Data: < \&#163; &#198;           > 18 5C A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C60DA2E310, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001C60DA34D70, 16 bytes long.
 Data: <&#240;[&#163; &#198;           > F0 5B A3 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001C60DA35BF0, 992 bytes long.
 Data: <pM&#163; &#198;    &#227;&#162; &#198;   > 70 4D A3 0D C6 01 00 00 10 E3 A2 0D C6 01 00 00 
{89} normal block at 0x000001C60DA2DD10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001C60DA28FA0, 16 bytes long.
 Data: <&#208;&#255;&#162; &#198;           > D0 FF A2 0D C6 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001C60DA2FFD0, 40 bytes long.
 Data: <&#160; &#162; &#198;    &#221;&#162; &#198;   > A0 8F A2 0D C6 01 00 00 10 DD A2 0D C6 01 00 00 
{66} normal block at 0x000001C60DA28A00, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C60DA289B0, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C60DA29810, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C60DA29590, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C60DA28910, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C60DA28CD0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C60DA297C0, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C60DA29720, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C60DA29540, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C60DA29860, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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