Task 38646263

Name test_380-GPUGRID_TEST_ATM_1000_20261023-0-1-RND1210_0
Workunit 31591217
Created 23 Oct 2026, 16:30:12 UTC
Sent 23 Oct 2026, 17:08:37 UTC
Report deadline 28 Oct 2026, 17:08:37 UTC
Received 23 Oct 2026, 17:29:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641223
Run time 17 min 42 sec
CPU time 17 min 33 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 40,554.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.43 MB
Peak swap size 6.94 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
10:11:33 (26136): wrapper (7.9.26016): starting
10:11:33 (26136): 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
10:11:34 (26136): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:11:34 (26136): 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
10:29:13 (26136): C:/Windows/system32/cmd.exe exited; CPU time 1053.390625
10:29:13 (26136): 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: 30282239 bytes.
Dumping objects ->
{3836262} normal block at 0x00000256C67BB950, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836251} normal block at 0x00000256C67BC670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836240} normal block at 0x00000256C67BC600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3836229} normal block at 0x00000256C6796390, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3836218} normal block at 0x00000256C6796320, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3836187} normal block at 0x00000256C851C510, 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) : {3836174} normal block at 0x00000256C678F890, 8 bytes long.
 Data: <  (&#200;V   > 00 00 28 C8 56 02 00 00 
{3833971} normal block at 0x00000256C678FED0, 8 bytes long.
 Data: < kZ&#200;V   > 80 6B 5A C8 56 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000256C6788D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000256C677FA00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000256C6796F00, 16 bytes long.
 Data: <(~y&#198;V           > 28 7E 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000256C6797950, 16 bytes long.
 Data: < ~y&#198;V           > 00 7E 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000256C6792550, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000256C6796D70, 16 bytes long.
 Data: <&#216;}y&#198;V           > D8 7D 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000256C6797900, 16 bytes long.
 Data: <&#176;}y&#198;V           > B0 7D 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000256C6797130, 16 bytes long.
 Data: < }y&#198;V           > 88 7D 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000256C67974A0, 16 bytes long.
 Data: <`}y&#198;V           > 60 7D 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000256C67964E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000256C67970E0, 16 bytes long.
 Data: <  x&#198;V           > 18 04 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000256C6792E50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000256C6796C80, 16 bytes long.
 Data: <&#240; x&#198;V           > F0 03 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000256C6796B40, 16 bytes long.
 Data: <&#200; x&#198;V           > C8 03 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000256C6796C30, 16 bytes long.
 Data: <&#160; x&#198;V           > A0 03 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000256C6797090, 16 bytes long.
 Data: <x x&#198;V           > 78 03 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000256C6797220, 16 bytes long.
 Data: <P x&#198;V           > 50 03 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000256C6797A90, 16 bytes long.
 Data: <( x&#198;V           > 28 03 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000256C67920D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000256C6797360, 16 bytes long.
 Data: <  x&#198;V           > 00 03 78 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000256C6780300, 320 bytes long.
 Data: <`sy&#198;V   &#208; y&#198;V   > 60 73 79 C6 56 02 00 00 D0 20 79 C6 56 02 00 00 
{281} normal block at 0x00000256C6796BE0, 16 bytes long.
 Data: <@}y&#198;V           > 40 7D 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000256C6797450, 16 bytes long.
 Data: < }y&#198;V           > 18 7D 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000256C6792D90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000256C6797770, 16 bytes long.
 Data: <&#240;|y&#198;V           > F0 7C 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000256C6792DF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000256C67971D0, 16 bytes long.
 Data: <8|y&#198;V           > 38 7C 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000256C6797040, 16 bytes long.
 Data: < |y&#198;V           > 10 7C 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000256C6796B90, 16 bytes long.
 Data: <&#232;{y&#198;V           > E8 7B 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000256C67978B0, 16 bytes long.
 Data: <&#192;{y&#198;V           > C0 7B 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000256C6797860, 16 bytes long.
 Data: < {y&#198;V           > 98 7B 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000256C6796FA0, 16 bytes long.
 Data: <p{y&#198;V           > 70 7B 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000256C6796F50, 16 bytes long.
 Data: <0fy&#198;V           > 30 66 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000256C6796630, 40 bytes long.
 Data: <Poy&#198;V    &#197;Q&#200;V   > 50 6F 79 C6 56 02 00 00 10 C5 51 C8 56 02 00 00 
{267} normal block at 0x00000256C6797A40, 16 bytes long.
 Data: <P{y&#198;V           > 50 7B 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000256C6796FF0, 16 bytes long.
 Data: <({y&#198;V           > 28 7B 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000256C67922B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000256C6796E60, 16 bytes long.
 Data: < {y&#198;V           > 00 7B 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000256C6797B00, 992 bytes long.
 Data: <`ny&#198;V   &#176;"y&#198;V   > 60 6E 79 C6 56 02 00 00 B0 22 79 C6 56 02 00 00 
{99} normal block at 0x00000256C6792970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000256C678F480, 16 bytes long.
 Data: <&#160;_y&#198;V           > A0 5F 79 C6 56 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000256C6795FA0, 40 bytes long.
 Data: < &#244;x&#198;V   p)y&#198;V   > 80 F4 78 C6 56 02 00 00 70 29 79 C6 56 02 00 00 
{76} normal block at 0x00000256C678F840, 16 bytes long.
 Data: < &#234;&#168; &#246;           > 80 EA A8 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000256C678FBB0, 16 bytes long.
 Data: <@&#233;&#168; &#246;           > 40 E9 A8 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000256C6790100, 16 bytes long.
 Data: <&#248;W&#165; &#246;           > F8 57 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000256C678F700, 16 bytes long.
 Data: <&#216;W&#165; &#246;           > D8 57 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000256C678FF70, 16 bytes long.
 Data: <P &#165; &#246;           > 50 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000256C678F340, 16 bytes long.
 Data: <0 &#165; &#246;           > 30 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000256C678F3E0, 16 bytes long.
 Data: <&#224; &#165; &#246;           > E0 02 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000256C678F2F0, 16 bytes long.
 Data: <  &#165; &#246;           > 10 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000256C678F390, 16 bytes long.
 Data: <p &#165; &#246;           > 70 04 A5 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000256C678F7F0, 16 bytes long.
 Data: < &#192;&#163; &#246;           > 18 C0 A3 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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