Task 38681785

Name test_164-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4234_0
Workunit 31623436
Created 27 Oct 2026, 5:19:42 UTC
Sent 27 Oct 2026, 5:19:46 UTC
Report deadline 1 Nov 2026, 5:19:46 UTC
Received 27 Oct 2026, 5:54:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 20 sec
CPU time 14 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.63 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:39:38 (48936): wrapper (7.9.26016): starting
01:39:38 (48936): 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
01:39:39 (48936): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:39:39 (48936): 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
01:54:20 (48936): C:/Windows/system32/cmd.exe exited; CPU time 878.281250
01:54:20 (48936): 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: 21459729 bytes.
Dumping objects ->
{3835501} normal block at 0x00000172C8BD2160, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x00000172C8BD2080, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x00000172C8BD2010, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x00000172C8BD1F30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x00000172C8BD1C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x00000172CA92AC60, 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) : {3835413} normal block at 0x00000172C8BCC9A0, 8 bytes long.
 Data: <  &#130;&#202;r   > 00 00 82 CA 72 01 00 00 
{3833939} normal block at 0x00000172C8BCC810, 8 bytes long.
 Data: <P  &#202;r   > 50 08 9D CA 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x00000172C8BCD820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000172C8BBC7A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x00000172C8BD3330, 16 bytes long.
 Data: <H,&#189;&#200;r           > 48 2C BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000172C8BD3650, 16 bytes long.
 Data: < ,&#189;&#200;r           > 20 2C BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000172C8BD0D80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x00000172C8BD3600, 16 bytes long.
 Data: <&#248;+&#189;&#200;r           > F8 2B BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000172C8BD3380, 16 bytes long.
 Data: <&#208;+&#189;&#200;r           > D0 2B BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000172C8BD35B0, 16 bytes long.
 Data: <&#168;+&#189;&#200;r           > A8 2B BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000172C8BD3920, 16 bytes long.
 Data: < +&#189;&#200;r           > 80 2B BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000172C8BD1E50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x00000172C8BD33D0, 16 bytes long.
 Data: < &#133;&#188;&#200;r           > 98 85 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000172C8BD1740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x00000172C8BD3100, 16 bytes long.
 Data: <p&#133;&#188;&#200;r           > 70 85 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000172C8BD3510, 16 bytes long.
 Data: <H&#133;&#188;&#200;r           > 48 85 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000172C8BD3970, 16 bytes long.
 Data: < &#133;&#188;&#200;r           > 20 85 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000172C8BD31A0, 16 bytes long.
 Data: <&#248;&#132;&#188;&#200;r           > F8 84 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000172C8BD3240, 16 bytes long.
 Data: <&#208;&#132;&#188;&#200;r           > D0 84 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000172C8BD3AB0, 16 bytes long.
 Data: <&#168;&#132;&#188;&#200;r           > A8 84 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000172C8BD1200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x00000172C8BD2E30, 16 bytes long.
 Data: < &#132;&#188;&#200;r           > 80 84 BC C8 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000172C8BC8480, 320 bytes long.
 Data: <0.&#189;&#200;r     &#189;&#200;r   > 30 2E BD C8 72 01 00 00 00 12 BD C8 72 01 00 00 
{265} normal block at 0x00000172C8BD39C0, 16 bytes long.
 Data: <`+&#189;&#200;r           > 60 2B BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000172C8BD3A60, 16 bytes long.
 Data: <8+&#189;&#200;r           > 38 2B BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000172C8BD0D20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x00000172C8BD38D0, 16 bytes long.
 Data: < +&#189;&#200;r           > 10 2B BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000172C8BD0BA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x00000172C8BD3BA0, 16 bytes long.
 Data: <X*&#189;&#200;r           > 58 2A BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000172C8BD3560, 16 bytes long.
 Data: <0*&#189;&#200;r           > 30 2A BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000172C8BD30B0, 16 bytes long.
 Data: < *&#189;&#200;r           > 08 2A BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000172C8BD2ED0, 16 bytes long.
 Data: <&#224;)&#189;&#200;r           > E0 29 BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000172C8BCC6D0, 16 bytes long.
 Data: <&#184;)&#189;&#200;r           > B8 29 BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000172C8BCC630, 16 bytes long.
 Data: < )&#189;&#200;r           > 90 29 BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000172C8BCBF50, 16 bytes long.
 Data: <@"&#189;&#200;r           > 40 22 BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000172C8BD2240, 40 bytes long.
 Data: <P&#191;&#188;&#200;r   `&#172;&#146;&#202;r   > 50 BF BC C8 72 01 00 00 60 AC 92 CA 72 01 00 00 
{251} normal block at 0x00000172C8BCCAE0, 16 bytes long.
 Data: <p)&#189;&#200;r           > 70 29 BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000172C8BCC590, 16 bytes long.
 Data: <H)&#189;&#200;r           > 48 29 BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000172C8BD1440, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x00000172C8BCC3B0, 16 bytes long.
 Data: < )&#189;&#200;r           > 20 29 BD C8 72 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x00000172C8BD2920, 992 bytes long.
 Data: <&#176;&#195;&#188;&#200;r   @ &#189;&#200;r   > B0 C3 BC C8 72 01 00 00 40 14 BD C8 72 01 00 00 
{83} normal block at 0x00000172C8BD1A40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x00000172C8BCBFA0, 16 bytes long.
 Data: <p&#210;&#187;&#200;r           > 70 D2 BB C8 72 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000172C8BBD270, 40 bytes long.
 Data: <&#160;&#191;&#188;&#200;r   @ &#189;&#200;r   > A0 BF BC C8 72 01 00 00 40 1A BD C8 72 01 00 00 
{60} normal block at 0x00000172C8BCC5E0, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000172C8BCBC80, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000172C8BCC270, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000172C8BCBBE0, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000172C8BCC770, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000172C8BCC180, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000172C8BCBE10, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000172C8BCC310, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000172C8BCC090, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x00000172C8BCBC30, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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