Task 38660171

Name test_403-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND1692_1
Workunit 31603309
Created 24 Oct 2026, 13:48:03 UTC
Sent 24 Oct 2026, 13:51:26 UTC
Report deadline 29 Oct 2026, 13:51:26 UTC
Received 24 Oct 2026, 15:29:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 46 min 14 sec
CPU time 33 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.70 MB
Peak swap size 5.39 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:43:51 (7012): wrapper (7.9.26016): starting
10:43:56 (7012): 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
10:44:01 (7012): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:44:01 (7012): 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\Boinc2\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 'C:\ProgramData\Boinc2\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
11:28:12 (7012): C:/Windows/system32/cmd.exe exited; CPU time 2004.750000
11:28:12 (7012): 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: 32144237 bytes.
Dumping objects ->
{3835333} normal block at 0x000001C227824100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835322} normal block at 0x000001C227824090, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835311} normal block at 0x000001C227824F00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835300} normal block at 0x000001C227824950, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001C227824C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835258} normal block at 0x000001C22773C6B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001C22779D2C0, 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) : {3835243} normal block at 0x000001C225C56B80, 8 bytes long.
 Data: <  &#192;%&#194;   > 00 00 C0 25 C2 01 00 00 
{3834581} normal block at 0x000001C22779CEA0, 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 0x000001C225C56F90, 8 bytes long.
 Data: <PP&#130;'&#194;   > 50 50 82 27 C2 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C225C602C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C225C4AF70, 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 0x000001C225C61210, 16 bytes long.
 Data: <&#200;7&#198;%&#194;           > C8 37 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C225C61D50, 16 bytes long.
 Data: <&#160;7&#198;%&#194;           > A0 37 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C225C5D380, 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 0x000001C225C61CB0, 16 bytes long.
 Data: <x7&#198;%&#194;           > 78 37 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C225C61C60, 16 bytes long.
 Data: <P7&#198;%&#194;           > 50 37 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C225C61E40, 16 bytes long.
 Data: <(7&#198;%&#194;           > 28 37 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C225C61260, 16 bytes long.
 Data: < 7&#198;%&#194;           > 00 37 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C225C5B380, 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 0x000001C225C611C0, 16 bytes long.
 Data: <&#248;&#197;&#197;%&#194;           > F8 C5 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C225C5CC60, 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 0x000001C225C61A30, 16 bytes long.
 Data: <&#208;&#197;&#197;%&#194;           > D0 C5 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C225C618A0, 16 bytes long.
 Data: <&#168;&#197;&#197;%&#194;           > A8 C5 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C225C61C10, 16 bytes long.
 Data: < &#197;&#197;%&#194;           > 80 C5 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C225C61850, 16 bytes long.
 Data: <X&#197;&#197;%&#194;           > 58 C5 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C225C61800, 16 bytes long.
 Data: <0&#197;&#197;%&#194;           > 30 C5 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C225C617B0, 16 bytes long.
 Data: < &#197;&#197;%&#194;           > 08 C5 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C225C5CD20, 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 0x000001C225C61760, 16 bytes long.
 Data: <&#224;&#196;&#197;%&#194;           > E0 C4 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C225C5C4E0, 320 bytes long.
 Data: <` &#198;%&#194;    &#205;&#197;%&#194;   > 60 17 C6 25 C2 01 00 00 20 CD C5 25 C2 01 00 00 
{270} normal block at 0x000001C225C62020, 16 bytes long.
 Data: <&#224;6&#198;%&#194;           > E0 36 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C225C61B70, 16 bytes long.
 Data: <&#184;6&#198;%&#194;           > B8 36 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C225C5D260, 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 0x000001C225C61670, 16 bytes long.
 Data: < 6&#198;%&#194;           > 90 36 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C225C5CF60, 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 0x000001C225C61710, 16 bytes long.
 Data: <&#216;5&#198;%&#194;           > D8 35 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C225C619E0, 16 bytes long.
 Data: <&#176;5&#198;%&#194;           > B0 35 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C225C61990, 16 bytes long.
 Data: < 5&#198;%&#194;           > 88 35 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C225C61940, 16 bytes long.
 Data: <`5&#198;%&#194;           > 60 35 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C225C610D0, 16 bytes long.
 Data: <85&#198;%&#194;           > 38 35 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C225C612B0, 16 bytes long.
 Data: < 5&#198;%&#194;           > 10 35 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C225C615D0, 16 bytes long.
 Data: <p&#183;&#197;%&#194;           > 70 B7 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C225C5B770, 40 bytes long.
 Data: <&#208; &#198;%&#194;   &#176;&#198;s'&#194;   > D0 15 C6 25 C2 01 00 00 B0 C6 73 27 C2 01 00 00 
{256} normal block at 0x000001C225C61BC0, 16 bytes long.
 Data: <&#240;4&#198;%&#194;           > F0 34 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C225C61300, 16 bytes long.
 Data: <&#200;4&#198;%&#194;           > C8 34 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C225C5CC00, 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 0x000001C225C61350, 16 bytes long.
 Data: <&#160;4&#198;%&#194;           > A0 34 C6 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C225C634A0, 992 bytes long.
 Data: <P &#198;%&#194;    &#204;&#197;%&#194;   > 50 13 C6 25 C2 01 00 00 00 CC C5 25 C2 01 00 00 
{88} normal block at 0x000001C225C5CDE0, 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 0x000001C225C56720, 16 bytes long.
 Data: <&#160;&#178;&#197;%&#194;           > A0 B2 C5 25 C2 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001C225C5B2A0, 40 bytes long.
 Data: < g&#197;%&#194;   &#224;&#205;&#197;%&#194;   > 20 67 C5 25 C2 01 00 00 E0 CD C5 25 C2 01 00 00 
{65} normal block at 0x000001C225C564F0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C225C569A0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C225C56A90, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C225C57120, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C225C56860, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C225C573A0, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C225C56C20, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C225C56E00, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C225C56950, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C225C56590, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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