Task 38682343

Name test_993-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6641_0
Workunit 31623962
Created 27 Oct 2026, 7:26:18 UTC
Sent 27 Oct 2026, 7:26:18 UTC
Report deadline 1 Nov 2026, 7:26:18 UTC
Received 27 Oct 2026, 8:15:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 29 min 15 sec
CPU time 27 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.46 MB
Peak swap size 5.38 GB
Peak disk usage 3.65 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:47:23 (2316): wrapper (7.9.26016): starting
08:47:23 (2316): 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
08:47:24 (2316): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:47:24 (2316): 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
09:15:35 (2316): C:/Windows/system32/cmd.exe exited; CPU time 1647.015625
09:15:35 (2316): 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: 24752855 bytes.
Dumping objects ->
{3835240} normal block at 0x0000022F70795240, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000022F707958D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000022F707956A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000022F707952B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000022F70795710, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000022F724366C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000022F7244F520, 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) : {3835151} normal block at 0x0000022F7078E540, 8 bytes long.
 Data: <  up/   > 00 00 75 70 2F 02 00 00 
{3834545} normal block at 0x0000022F7244FE10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022F7078DE60, 8 bytes long.
 Data: < Myp/   > 10 4D 79 70 2F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022F70792200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022F70786930, 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 0x0000022F707961C0, 16 bytes long.
 Data: <8qyp/           > 38 71 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022F70796350, 16 bytes long.
 Data: < qyp/           > 10 71 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022F7078F990, 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 0x0000022F707964E0, 16 bytes long.
 Data: <&#232;pyp/           > E8 70 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022F70796170, 16 bytes long.
 Data: <&#192;pyp/           > C0 70 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022F70796490, 16 bytes long.
 Data: < pyp/           > 98 70 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022F70796120, 16 bytes long.
 Data: <ppyp/           > 70 70 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022F70795940, 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 0x0000022F70796210, 16 bytes long.
 Data: <x&#249;wp/           > 78 F9 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022F7078FED0, 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 0x0000022F70796800, 16 bytes long.
 Data: <P&#249;wp/           > 50 F9 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022F70796760, 16 bytes long.
 Data: <(&#249;wp/           > 28 F9 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022F707967B0, 16 bytes long.
 Data: < &#249;wp/           > 00 F9 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022F707960D0, 16 bytes long.
 Data: <&#216;&#248;wp/           > D8 F8 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022F707965D0, 16 bytes long.
 Data: <&#176;&#248;wp/           > B0 F8 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022F70795F40, 16 bytes long.
 Data: < &#248;wp/           > 88 F8 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022F7078FDB0, 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 0x0000022F70796940, 16 bytes long.
 Data: <`&#248;wp/           > 60 F8 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022F7077F860, 320 bytes long.
 Data: <@iyp/   &#176;&#253;xp/   > 40 69 79 70 2F 02 00 00 B0 FD 78 70 2F 02 00 00 
{276} normal block at 0x0000022F70796A80, 16 bytes long.
 Data: <Ppyp/           > 50 70 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022F70796C60, 16 bytes long.
 Data: <(pyp/           > 28 70 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022F7078FE70, 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 0x0000022F707962B0, 16 bytes long.
 Data: < pyp/           > 00 70 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022F7078F7B0, 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 0x0000022F70795EA0, 16 bytes long.
 Data: <Hoyp/           > 48 6F 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022F70796440, 16 bytes long.
 Data: < oyp/           > 20 6F 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022F70796C10, 16 bytes long.
 Data: <&#248;nyp/           > F8 6E 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022F70796A30, 16 bytes long.
 Data: <&#208;nyp/           > D0 6E 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022F70796B20, 16 bytes long.
 Data: <&#168;nyp/           > A8 6E 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022F707969E0, 16 bytes long.
 Data: < nyp/           > 80 6E 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022F707966C0, 16 bytes long.
 Data: <&#240;Wyp/           > F0 57 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022F707957F0, 40 bytes long.
 Data: <&#192;fyp/   &#192;fCr/   > C0 66 79 70 2F 02 00 00 C0 66 43 72 2F 02 00 00 
{262} normal block at 0x0000022F70796080, 16 bytes long.
 Data: <`nyp/           > 60 6E 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022F70796030, 16 bytes long.
 Data: <8nyp/           > 38 6E 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022F70790110, 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 0x0000022F70795E50, 16 bytes long.
 Data: < nyp/           > 10 6E 79 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022F70796E10, 992 bytes long.
 Data: <P^yp/     yp/   > 50 5E 79 70 2F 02 00 00 10 01 79 70 2F 02 00 00 
{94} normal block at 0x0000022F7078FE10, 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 0x0000022F7078E860, 16 bytes long.
 Data: < &#245;wp/           > 10 F5 77 70 2F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022F7077F510, 40 bytes long.
 Data: <`&#232;xp/    &#254;xp/   > 60 E8 78 70 2F 02 00 00 10 FE 78 70 2F 02 00 00 
{71} normal block at 0x0000022F7078D960, 16 bytes long.
 Data: < &#234;&#185; &#246;           > 80 EA B9 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022F7078DCD0, 16 bytes long.
 Data: <@&#233;&#185; &#246;           > 40 E9 B9 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022F7078DC80, 16 bytes long.
 Data: <&#248;W&#182; &#246;           > F8 57 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022F7078E4F0, 16 bytes long.
 Data: <&#216;W&#182; &#246;           > D8 57 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022F7078DC30, 16 bytes long.
 Data: <P &#182; &#246;           > 50 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022F7078DAA0, 16 bytes long.
 Data: <0 &#182; &#246;           > 30 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022F7078DFA0, 16 bytes long.
 Data: <&#224; &#182; &#246;           > E0 02 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022F7078DBE0, 16 bytes long.
 Data: <  &#182; &#246;           > 10 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022F7078DD70, 16 bytes long.
 Data: <p &#182; &#246;           > 70 04 B6 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022F7078E4A0, 16 bytes long.
 Data: < &#192;&#180; &#246;           > 18 C0 B4 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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