Task 38685382

Name test_566-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6042_0
Workunit 31626851
Created 27 Oct 2026, 20:48:01 UTC
Sent 27 Oct 2026, 20:48:02 UTC
Report deadline 1 Nov 2026, 20:48:02 UTC
Received 28 Oct 2026, 2:16:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 27 min 50 sec
CPU time 1 hours 16 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.09 MB
Peak swap size 5.23 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:50:53 (25492): wrapper (7.9.26016): starting
17:50:53 (25492): 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
17:50:57 (25492): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:50:57 (25492): 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\3\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\3\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: Exiting with failure status due to previous errors
19:15:33 (25492): C:/Windows/system32/cmd.exe exited; CPU time 4562.062500
19:15:33 (25492): 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: 71133965 bytes.
Dumping objects ->
{3835221} normal block at 0x0000024315DE0A20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000024315DE08D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000024315DE1120, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x0000024315DE0C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000024315DE10B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x0000024315E8BC80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835133} normal block at 0x00000243143468F0, 8 bytes long.
 Data: <  &#196; C   > 00 00 C4 15 43 02 00 00 
{3833949} normal block at 0x0000024314346350, 8 bytes long.
 Data: < &#233;&#222; C   > 10 E9 DE 15 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000024314350140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002431433B320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000024314351CC0, 16 bytes long.
 Data: < 75 C           > 88 37 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024314351450, 16 bytes long.
 Data: <`75 C           > 60 37 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002431434AFA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000243143514F0, 16 bytes long.
 Data: <875 C           > 38 37 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024314351810, 16 bytes long.
 Data: < 75 C           > 10 37 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024314351E50, 16 bytes long.
 Data: <&#232;65 C           > E8 36 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000243143519A0, 16 bytes long.
 Data: <&#192;65 C           > C0 36 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002431434CC90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000024314351400, 16 bytes long.
 Data: < &#191;3 C           > 88 BF 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002431434AE80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000024314351270, 16 bytes long.
 Data: <`&#191;3 C           > 60 BF 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024314351D60, 16 bytes long.
 Data: <8&#191;3 C           > 38 BF 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024314351900, 16 bytes long.
 Data: < &#191;3 C           > 10 BF 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000243143517C0, 16 bytes long.
 Data: <&#232;&#190;3 C           > E8 BE 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024314351220, 16 bytes long.
 Data: <&#192;&#190;3 C           > C0 BE 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024314351D10, 16 bytes long.
 Data: < &#190;3 C           > 98 BE 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002431434B240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000024314351680, 16 bytes long.
 Data: <p&#190;3 C           > 70 BE 33 14 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002431433BE70, 320 bytes long.
 Data: <  5 C   @&#178;4 C   > 80 16 35 14 43 02 00 00 40 B2 34 14 43 02 00 00 
{270} normal block at 0x0000024314351C70, 16 bytes long.
 Data: <&#160;65 C           > A0 36 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000243143511D0, 16 bytes long.
 Data: <x65 C           > 78 36 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002431434AE20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000243143518B0, 16 bytes long.
 Data: <P65 C           > 50 36 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002431434B000, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000243143510E0, 16 bytes long.
 Data: < 55 C           > 98 35 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024314351630, 16 bytes long.
 Data: <p55 C           > 70 35 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024314351310, 16 bytes long.
 Data: <H55 C           > 48 35 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024314351950, 16 bytes long.
 Data: < 55 C           > 20 35 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000243143512C0, 16 bytes long.
 Data: <&#248;45 C           > F8 34 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000243143515E0, 16 bytes long.
 Data: <&#208;45 C           > D0 34 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024314351590, 16 bytes long.
 Data: <&#224;&#198;4 C           > E0 C6 34 14 43 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002431434C6E0, 40 bytes long.
 Data: <  5 C    &#188;&#232; C   > 90 15 35 14 43 02 00 00 80 BC E8 15 43 02 00 00 
{256} normal block at 0x0000024314351090, 16 bytes long.
 Data: <&#176;45 C           > B0 34 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024314351180, 16 bytes long.
 Data: < 45 C           > 88 34 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002431434B4E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000024314351C20, 16 bytes long.
 Data: <`45 C           > 60 34 35 14 43 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024314353460, 992 bytes long.
 Data: <  5 C   &#224;&#180;4 C   > 20 1C 35 14 43 02 00 00 E0 B4 34 14 43 02 00 00 
{88} normal block at 0x000002431434B1E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000024314346760, 16 bytes long.
 Data: <@&#203;4 C           > 40 CB 34 14 43 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002431434CB40, 40 bytes long.
 Data: <`g4 C   &#224;&#177;4 C   > 60 67 34 14 43 02 00 00 E0 B1 34 14 43 02 00 00 
{65} normal block at 0x0000024314345C70, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000243143466C0, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024314346800, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024314345EF0, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024314346670, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024314345C20, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024314346620, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024314345E00, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024314345E50, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024314345B80, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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