Task 38672415

Name test_171-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3116_1
Workunit 31614524
Created 25 Oct 2026, 23:21:12 UTC
Sent 25 Oct 2026, 23:21:30 UTC
Report deadline 30 Oct 2026, 23:21:30 UTC
Received 26 Oct 2026, 0:27:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651345
Run time 19 min 7 sec
CPU time 18 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.21 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:05:13 (15252): wrapper (7.9.26016): starting
19:05:13 (15252): 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
19:05:14 (15252): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:05:14 (15252): 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
19:23:46 (15252): C:/Windows/system32/cmd.exe exited; CPU time 1094.062500
19:23:46 (15252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 13651863 bytes.
Dumping objects ->
{3835567} normal block at 0x0000024E42943CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x0000024E42943990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835545} normal block at 0x0000024E42943A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835534} normal block at 0x0000024E42943610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835523} normal block at 0x0000024E42943BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835492} normal block at 0x0000024E446A6CB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000024E4459EE20, 235 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) : {3835478} normal block at 0x0000024E4293DBE0, 8 bytes long.
 Data: <   BN   > 00 00 90 42 4E 02 00 00 
{3834701} normal block at 0x0000024E42943DD0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000024E4293E130, 8 bytes long.
 Data: <&#176;&#183;&#150;BN   > B0 B7 96 42 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024E42940510, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024E42935490, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000024E429443A0, 16 bytes long.
 Data: <XT&#148;BN           > 58 54 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024E42944800, 16 bytes long.
 Data: <0T&#148;BN           > 30 54 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024E4293F380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000024E42944E40, 16 bytes long.
 Data: < T&#148;BN           > 08 54 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024E429447B0, 16 bytes long.
 Data: <&#224;S&#148;BN           > E0 53 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024E42944990, 16 bytes long.
 Data: <&#184;S&#148;BN           > B8 53 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024E42944D00, 16 bytes long.
 Data: < S&#148;BN           > 90 53 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024E429385F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000024E429444E0, 16 bytes long.
 Data: < &#133;&#147;BN           > 88 85 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024E4293EFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000024E429441C0, 16 bytes long.
 Data: <`&#133;&#147;BN           > 60 85 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024E42944D50, 16 bytes long.
 Data: <8&#133;&#147;BN           > 38 85 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024E42944760, 16 bytes long.
 Data: < &#133;&#147;BN           > 10 85 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024E42944350, 16 bytes long.
 Data: <&#232;&#132;&#147;BN           > E8 84 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024E42944CB0, 16 bytes long.
 Data: <&#192;&#132;&#147;BN           > C0 84 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024E42944440, 16 bytes long.
 Data: < &#132;&#147;BN           > 98 84 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024E4293F1A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000024E42944DF0, 16 bytes long.
 Data: <p&#132;&#147;BN           > 70 84 93 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024E42938470, 320 bytes long.
 Data: <&#240;M&#148;BN   &#160;&#241;&#147;BN   > F0 4D 94 42 4E 02 00 00 A0 F1 93 42 4E 02 00 00 
{272} normal block at 0x0000024E429449E0, 16 bytes long.
 Data: <pS&#148;BN           > 70 53 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024E42944A80, 16 bytes long.
 Data: <HS&#148;BN           > 48 53 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024E4293F140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000024E42944710, 16 bytes long.
 Data: < S&#148;BN           > 20 53 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024E4293EF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000024E42944AD0, 16 bytes long.
 Data: <hR&#148;BN           > 68 52 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024E42944170, 16 bytes long.
 Data: <@R&#148;BN           > 40 52 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024E42944940, 16 bytes long.
 Data: < R&#148;BN           > 18 52 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024E42944B20, 16 bytes long.
 Data: <&#240;Q&#148;BN           > F0 51 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024E429448A0, 16 bytes long.
 Data: <&#200;Q&#148;BN           > C8 51 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024E42944300, 16 bytes long.
 Data: <&#160;Q&#148;BN           > A0 51 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024E429446C0, 16 bytes long.
 Data: < &#209;&#146;BN           > 80 D1 92 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024E4292D180, 40 bytes long.
 Data: <&#192;F&#148;BN   &#176;ljDN   > C0 46 94 42 4E 02 00 00 B0 6C 6A 44 4E 02 00 00 
{258} normal block at 0x0000024E42944620, 16 bytes long.
 Data: < Q&#148;BN           > 80 51 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024E429442B0, 16 bytes long.
 Data: <XQ&#148;BN           > 58 51 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024E4293F020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000024E42945070, 16 bytes long.
 Data: <0Q&#148;BN           > 30 51 94 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024E42945130, 992 bytes long.
 Data: <pP&#148;BN    &#240;&#147;BN   > 70 50 94 42 4E 02 00 00 20 F0 93 42 4E 02 00 00 
{90} normal block at 0x0000024E4293F080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000024E4293E630, 16 bytes long.
 Data: <P&#219;&#146;BN           > 50 DB 92 42 4E 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000024E4292DB50, 40 bytes long.
 Data: <0&#230;&#147;BN    &#240;&#147;BN   > 30 E6 93 42 4E 02 00 00 80 F0 93 42 4E 02 00 00 
{67} normal block at 0x0000024E4293E860, 16 bytes long.
 Data: < &#234; &#174;&#246;           > 80 EA 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024E4293E680, 16 bytes long.
 Data: <@&#233; &#174;&#246;           > 40 E9 1A AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024E4293E6D0, 16 bytes long.
 Data: <&#248;W &#174;&#246;           > F8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024E4293E900, 16 bytes long.
 Data: <&#216;W &#174;&#246;           > D8 57 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024E4293DCD0, 16 bytes long.
 Data: <P  &#174;&#246;           > 50 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024E4293E450, 16 bytes long.
 Data: <0  &#174;&#246;           > 30 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024E4293E040, 16 bytes long.
 Data: <&#224;  &#174;&#246;           > E0 02 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024E4293DAA0, 16 bytes long.
 Data: <   &#174;&#246;           > 10 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024E4293E270, 16 bytes long.
 Data: <p  &#174;&#246;           > 70 04 17 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024E4293E4F0, 16 bytes long.
 Data: < &#192; &#174;&#246;           > 18 C0 15 AE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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