Task 38648570

Name test_363-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND1539_0
Workunit 31593268
Created 23 Oct 2026, 20:45:18 UTC
Sent 24 Oct 2026, 2:02:39 UTC
Report deadline 29 Oct 2026, 2:02:39 UTC
Received 24 Oct 2026, 3:11:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 56 min 37 sec
CPU time 54 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.91 MB
Peak swap size 6.84 GB
Peak disk usage 3.68 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:16:17 (27780): wrapper (7.9.26016): starting
21:16:17 (27780): 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
21:16:19 (27780): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:16:19 (27780): 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\1\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\1\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
22:11:25 (27780): C:/Windows/system32/cmd.exe exited; CPU time 3269.656250
22:11:25 (27780): 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: 63518719 bytes.
Dumping objects ->
{3835204} normal block at 0x0000021DE7048770, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000021DE5314B20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000021DE5314AB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x0000021DE53146C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x0000021DE5314960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x0000021DE7056180, 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) : {3835116} normal block at 0x0000021DE530F120, 8 bytes long.
 Data: <  &#132;&#229;    > 00 00 84 E5 1D 02 00 00 
{3833967} normal block at 0x0000021DE530E770, 8 bytes long.
 Data: < F &#231;    > 10 46 0B E7 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021DE5310A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021DE52FE920, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000021DE5315FE0, 16 bytes long.
 Data: <hd1&#229;            > 68 64 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021DE5315720, 16 bytes long.
 Data: <@d1&#229;            > 40 64 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021DE530FC40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000021DE53156D0, 16 bytes long.
 Data: < d1&#229;            > 18 64 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021DE5315680, 16 bytes long.
 Data: <&#240;c1&#229;            > F0 63 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021DE5315E00, 16 bytes long.
 Data: <&#200;c1&#229;            > C8 63 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021DE5315630, 16 bytes long.
 Data: <&#160;c1&#229;            > A0 63 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021DE53147A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000021DE5315DB0, 16 bytes long.
 Data: <&#232;&#140;0&#229;            > E8 8C 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021DE530F640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000021DE53155E0, 16 bytes long.
 Data: <&#192;&#140;0&#229;            > C0 8C 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021DE5315590, 16 bytes long.
 Data: < &#140;0&#229;            > 98 8C 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021DE53154F0, 16 bytes long.
 Data: <p&#140;0&#229;            > 70 8C 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021DE5315EA0, 16 bytes long.
 Data: <H&#140;0&#229;            > 48 8C 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021DE5315D60, 16 bytes long.
 Data: < &#140;0&#229;            > 20 8C 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021DE5315450, 16 bytes long.
 Data: <&#248;&#139;0&#229;            > F8 8B 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021DE5310420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000021DE5315950, 16 bytes long.
 Data: <&#208;&#139;0&#229;            > D0 8B 30 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021DE5308BD0, 320 bytes long.
 Data: <PY1&#229;      1&#229;    > 50 59 31 E5 1D 02 00 00 20 04 31 E5 1D 02 00 00 
{279} normal block at 0x0000021DE5315220, 16 bytes long.
 Data: < c1&#229;            > 80 63 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021DE5315F90, 16 bytes long.
 Data: <Xc1&#229;            > 58 63 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021DE5310240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000021DE5315360, 16 bytes long.
 Data: <0c1&#229;            > 30 63 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021DE53103C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000021DE53151D0, 16 bytes long.
 Data: <xb1&#229;            > 78 62 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021DE5315F40, 16 bytes long.
 Data: <Pb1&#229;            > 50 62 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021DE5315C20, 16 bytes long.
 Data: <(b1&#229;            > 28 62 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021DE53154A0, 16 bytes long.
 Data: < b1&#229;            > 00 62 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021DE53153B0, 16 bytes long.
 Data: <&#216;a1&#229;            > D8 61 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021DE5315860, 16 bytes long.
 Data: <&#176;a1&#229;            > B0 61 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021DE5315C70, 16 bytes long.
 Data: <&#224;E1&#229;            > E0 45 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021DE53145E0, 40 bytes long.
 Data: <p\1&#229;     a &#231;    > 70 5C 31 E5 1D 02 00 00 80 61 05 E7 1D 02 00 00 
{265} normal block at 0x0000021DE5315E50, 16 bytes long.
 Data: < a1&#229;            > 90 61 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021DE5315D10, 16 bytes long.
 Data: <ha1&#229;            > 68 61 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021DE530F7C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000021DE5316030, 16 bytes long.
 Data: <@a1&#229;            > 40 61 31 E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021DE5316140, 992 bytes long.
 Data: <0`1&#229;    &#192;&#247;0&#229;    > 30 60 31 E5 1D 02 00 00 C0 F7 30 E5 1D 02 00 00 
{97} normal block at 0x0000021DE530F940, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000021DE530E9A0, 16 bytes long.
 Data: <&#208;&#244;/&#229;            > D0 F4 2F E5 1D 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021DE52FF4D0, 40 bytes long.
 Data: <&#160;&#233;0&#229;    @&#249;0&#229;    > A0 E9 30 E5 1D 02 00 00 40 F9 30 E5 1D 02 00 00 
{74} normal block at 0x0000021DE530EAE0, 16 bytes long.
 Data: < &#234;x&#178;&#247;           > 80 EA 78 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021DE530E810, 16 bytes long.
 Data: <@&#233;x&#178;&#247;           > 40 E9 78 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021DE530EEA0, 16 bytes long.
 Data: <&#248;Wu&#178;&#247;           > F8 57 75 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021DE530E950, 16 bytes long.
 Data: <&#216;Wu&#178;&#247;           > D8 57 75 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021DE530EF90, 16 bytes long.
 Data: <P u&#178;&#247;           > 50 04 75 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021DE530F0D0, 16 bytes long.
 Data: <0 u&#178;&#247;           > 30 04 75 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021DE530EC20, 16 bytes long.
 Data: <&#224; u&#178;&#247;           > E0 02 75 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021DE530E900, 16 bytes long.
 Data: <  u&#178;&#247;           > 10 04 75 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021DE530F300, 16 bytes long.
 Data: <p u&#178;&#247;           > 70 04 75 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021DE530ECC0, 16 bytes long.
 Data: < &#192;s&#178;&#247;           > 18 C0 73 B2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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