Task 38686697

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8529_0
Workunit 31628119
Created 28 Oct 2026, 3:56:12 UTC
Sent 28 Oct 2026, 3:56:15 UTC
Report deadline 2 Nov 2026, 3:56:15 UTC
Received 28 Oct 2026, 4:31:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 23 min 10 sec
CPU time 20 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.50 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:08:15 (28172): wrapper (7.9.26016): starting
00:08:15 (28172): 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
00:08:16 (28172): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:08:16 (28172): 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\12\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\12\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
00:31:18 (28172): C:/Windows/system32/cmd.exe exited; CPU time 1234.421875
00:31:18 (28172): 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: 31477555 bytes.
Dumping objects ->
{3835576} normal block at 0x000002927D3EE270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x000002927D3ED710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x000002927B775770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x000002927B775700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000002927B775690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x000002927D435030, 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) : {3835488} normal block at 0x000002927B76DB80, 8 bytes long.
 Data: <  &#190;{&#146;   > 00 00 BE 7B 92 02 00 00 
{3833961} normal block at 0x000002927B76DF90, 8 bytes long.
 Data: <&#176;CI}&#146;   > B0 43 49 7D 92 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002927B772540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002927B766700, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002927B776230, 16 bytes long.
 Data: <&#184;pw{&#146;           > B8 70 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002927B775F10, 16 bytes long.
 Data: < pw{&#146;           > 90 70 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002927B76FFD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002927B775EC0, 16 bytes long.
 Data: <hpw{&#146;           > 68 70 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002927B7760F0, 16 bytes long.
 Data: <@pw{&#146;           > 40 70 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002927B775DD0, 16 bytes long.
 Data: < pw{&#146;           > 18 70 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002927B776050, 16 bytes long.
 Data: <&#240;ow{&#146;           > F0 6F 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002927B7757E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002927B775FB0, 16 bytes long.
 Data: <&#168;&#247;u{&#146;           > A8 F7 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002927B76FB50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002927B776B40, 16 bytes long.
 Data: < &#247;u{&#146;           > 80 F7 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002927B7761E0, 16 bytes long.
 Data: <X&#247;u{&#146;           > 58 F7 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002927B776870, 16 bytes long.
 Data: <0&#247;u{&#146;           > 30 F7 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002927B776C30, 16 bytes long.
 Data: < &#247;u{&#146;           > 08 F7 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002927B776CD0, 16 bytes long.
 Data: <&#224;&#246;u{&#146;           > E0 F6 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002927B7768C0, 16 bytes long.
 Data: <&#184;&#246;u{&#146;           > B8 F6 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002927B76F9D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002927B7763C0, 16 bytes long.
 Data: < &#246;u{&#146;           > 90 F6 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002927B75F690, 320 bytes long.
 Data: <&#192;cw{&#146;   &#208;&#249;v{&#146;   > C0 63 77 7B 92 02 00 00 D0 F9 76 7B 92 02 00 00 
{276} normal block at 0x000002927B776500, 16 bytes long.
 Data: <&#208;ow{&#146;           > D0 6F 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002927B776960, 16 bytes long.
 Data: <&#168;ow{&#146;           > A8 6F 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002927B76F970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002927B775E70, 16 bytes long.
 Data: < ow{&#146;           > 80 6F 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002927B76F910, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002927B776320, 16 bytes long.
 Data: <&#200;nw{&#146;           > C8 6E 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002927B776370, 16 bytes long.
 Data: <&#160;nw{&#146;           > A0 6E 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002927B775E20, 16 bytes long.
 Data: <xnw{&#146;           > 78 6E 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002927B776820, 16 bytes long.
 Data: <Pnw{&#146;           > 50 6E 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002927B776A00, 16 bytes long.
 Data: <(nw{&#146;           > 28 6E 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002927B7764B0, 16 bytes long.
 Data: < nw{&#146;           > 00 6E 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002927B776140, 16 bytes long.
 Data: < Sw{&#146;           > 80 53 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002927B775380, 40 bytes long.
 Data: <@aw{&#146;   0PC}&#146;   > 40 61 77 7B 92 02 00 00 30 50 43 7D 92 02 00 00 
{262} normal block at 0x000002927B776410, 16 bytes long.
 Data: <&#224;mw{&#146;           > E0 6D 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002927B7767D0, 16 bytes long.
 Data: <&#184;mw{&#146;           > B8 6D 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002927B770270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002927B7762D0, 16 bytes long.
 Data: < mw{&#146;           > 90 6D 77 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002927B776D90, 992 bytes long.
 Data: <&#208;bw{&#146;   p w{&#146;   > D0 62 77 7B 92 02 00 00 70 02 77 7B 92 02 00 00 
{94} normal block at 0x000002927B76FD30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002927B76E120, 16 bytes long.
 Data: < &#243;u{&#146;           > 90 F3 75 7B 92 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002927B75F390, 40 bytes long.
 Data: < &#225;v{&#146;   0&#253;v{&#146;   > 20 E1 76 7B 92 02 00 00 30 FD 76 7B 92 02 00 00 
{71} normal block at 0x000002927B76DB30, 16 bytes long.
 Data: < &#234;aj&#246;           > 80 EA 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002927B76E530, 16 bytes long.
 Data: <@&#233;aj&#246;           > 40 E9 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002927B76DAE0, 16 bytes long.
 Data: <&#248;W^j&#246;           > F8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002927B76D9F0, 16 bytes long.
 Data: <&#216;W^j&#246;           > D8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002927B76E080, 16 bytes long.
 Data: <P ^j&#246;           > 50 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002927B76E350, 16 bytes long.
 Data: <0 ^j&#246;           > 30 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002927B76DF40, 16 bytes long.
 Data: <&#224; ^j&#246;           > E0 02 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002927B76E0D0, 16 bytes long.
 Data: <  ^j&#246;           > 10 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002927B76E030, 16 bytes long.
 Data: <p ^j&#246;           > 70 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002927B76DD10, 16 bytes long.
 Data: < &#192;\j&#246;           > 18 C0 5C 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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