Task 38669577

Name test_178-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6894_1
Workunit 31611885
Created 25 Oct 2026, 15:00:42 UTC
Sent 25 Oct 2026, 15:00:45 UTC
Report deadline 30 Oct 2026, 15:00:45 UTC
Received 25 Oct 2026, 15:46:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 39 min 25 sec
CPU time 38 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.41 MB
Peak swap size 12.87 GB
Peak disk usage 3.51 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:06:56 (43504): wrapper (7.9.26016): starting
10:06:56 (43504): 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
10:06:57 (43504): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:06:57 (43504): 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\0\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\0\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
10:45:36 (43504): C:/Windows/system32/cmd.exe exited; CPU time 2301.546875
10:45:36 (43504): 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: 33839971 bytes.
Dumping objects ->
{3835570} normal block at 0x000002013BD70840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x000002013BD70AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000002013BD716B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x000002013BD71640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000002013BD711E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x000002013BE1B8A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000002013BE7D390, 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) : {3835481} normal block at 0x000002013A1A65A0, 8 bytes long.
 Data: <   :    > 00 00 0F 3A 01 02 00 00 
{3834692} normal block at 0x000002013BE7CC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002013A1A6A50, 8 bytes long.
 Data: <&#176;l&#240;;    > B0 6C F0 3B 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002013A1B0E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002013A19A9B0, 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 0x000002013A1B2720, 16 bytes long.
 Data: <&#168;4 :            > A8 34 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002013A1B2C70, 16 bytes long.
 Data: < 4 :            > 80 34 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002013A1AD760, 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 0x000002013A1B2A40, 16 bytes long.
 Data: <X4 :            > 58 34 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002013A1B26D0, 16 bytes long.
 Data: <04 :            > 30 34 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002013A1B23B0, 16 bytes long.
 Data: < 4 :            > 08 34 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002013A1B2130, 16 bytes long.
 Data: <&#224;3 :            > E0 33 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002013A1AB1B0, 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 0x000002013A1B29F0, 16 bytes long.
 Data: <(&#186; :            > 28 BA 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002013A1AE180, 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 0x000002013A1B2680, 16 bytes long.
 Data: < &#186; :            > 00 BA 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002013A1B1FF0, 16 bytes long.
 Data: <&#216;&#185; :            > D8 B9 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002013A1B2950, 16 bytes long.
 Data: <&#176;&#185; :            > B0 B9 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002013A1B2040, 16 bytes long.
 Data: < &#185; :            > 88 B9 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002013A1B1FA0, 16 bytes long.
 Data: <`&#185; :            > 60 B9 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002013A1B1F00, 16 bytes long.
 Data: <8&#185; :            > 38 B9 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002013A1AD460, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x000002013A1B21D0, 16 bytes long.
 Data: < &#185; :            > 10 B9 19 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002013A19B910, 320 bytes long.
 Data: <&#208;! :    `&#212; :    > D0 21 1B 3A 01 02 00 00 60 D4 1A 3A 01 02 00 00 
{270} normal block at 0x000002013A1B2C20, 16 bytes long.
 Data: <&#192;3 :            > C0 33 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002013A1B2590, 16 bytes long.
 Data: < 3 :            > 98 33 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002013A1AD400, 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 0x000002013A1B2AE0, 16 bytes long.
 Data: <p3 :            > 70 33 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002013A1AD3A0, 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 0x000002013A1B2D10, 16 bytes long.
 Data: <&#184;2 :            > B8 32 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002013A1B2BD0, 16 bytes long.
 Data: < 2 :            > 90 32 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002013A1B2180, 16 bytes long.
 Data: <h2 :            > 68 32 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002013A1B2400, 16 bytes long.
 Data: <@2 :            > 40 32 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002013A1B1EB0, 16 bytes long.
 Data: < 2 :            > 18 32 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002013A1B29A0, 16 bytes long.
 Data: <&#240;1 :            > F0 31 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002013A1B2630, 16 bytes long.
 Data: <&#208;&#176; :            > D0 B0 1A 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002013A1AB0D0, 40 bytes long.
 Data: <0& :    &#160;&#184;&#225;;    > 30 26 1B 3A 01 02 00 00 A0 B8 E1 3B 01 02 00 00 
{256} normal block at 0x000002013A1B25E0, 16 bytes long.
 Data: <&#208;1 :            > D0 31 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002013A1B1DC0, 16 bytes long.
 Data: <&#168;1 :            > A8 31 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002013A1ADD00, 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 0x000002013A1B2270, 16 bytes long.
 Data: < 1 :            > 80 31 1B 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002013A1B3180, 992 bytes long.
 Data: <p" :     &#221; :    > 70 22 1B 3A 01 02 00 00 00 DD 1A 3A 01 02 00 00 
{88} normal block at 0x000002013A1ADA60, 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 0x000002013A1A7040, 16 bytes long.
 Data: <&#240;&#175; :            > F0 AF 1A 3A 01 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002013A1AAFF0, 40 bytes long.
 Data: <@p :    `&#218; :    > 40 70 1A 3A 01 02 00 00 60 DA 1A 3A 01 02 00 00 
{65} normal block at 0x000002013A1A62D0, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002013A1A6A00, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002013A1A6FA0, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002013A1A6870, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002013A1A7220, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002013A1A6C30, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002013A1A6B90, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002013A1A6EB0, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002013A1A6550, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002013A1A6500, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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