Task 38671933

Name test_334-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7879_1
Workunit 31613862
Created 25 Oct 2026, 21:59:40 UTC
Sent 25 Oct 2026, 21:59:42 UTC
Report deadline 30 Oct 2026, 21:59:42 UTC
Received 25 Oct 2026, 22:31:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 30 min 24 sec
CPU time 27 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.95 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:01:08 (17716): wrapper (7.9.26016): starting
22:01:08 (17716): 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
22:01:09 (17716): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:01:09 (17716): 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
22:30:23 (17716): C:/Windows/system32/cmd.exe exited; CPU time 1670.593750
22:30:23 (17716): 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: 27563025 bytes.
Dumping objects ->
{3835306} normal block at 0x00000232D9384010, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x00000232D76E4980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x00000232D76E4600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x00000232D76E4BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000232D76E4C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x00000232D92F7580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x00000232D930E9F0, 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) : {3835217} normal block at 0x00000232D76DFCA0, 8 bytes long.
 Data: <  &#168;&#215;2   > 00 00 A8 D7 32 02 00 00 
{3834571} normal block at 0x00000232D930E5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000232D76DFD90, 8 bytes long.
 Data: < &#161;p&#215;2   > 10 A1 70 D7 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000232D76E0670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000232D76D6630, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000232D76E57B0, 16 bytes long.
 Data: <8fn&#215;2           > 38 66 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000232D76E5760, 16 bytes long.
 Data: < fn&#215;2           > 10 66 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000232D76DEC50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000232D76E5670, 16 bytes long.
 Data: <&#232;en&#215;2           > E8 65 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000232D76E6160, 16 bytes long.
 Data: <&#192;en&#215;2           > C0 65 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000232D76E6070, 16 bytes long.
 Data: < en&#215;2           > 98 65 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000232D76E5620, 16 bytes long.
 Data: <pen&#215;2           > 70 65 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000232D76E48A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000232D76E5530, 16 bytes long.
 Data: <&#168; m&#215;2           > A8 8F 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000232D76DEB30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000232D76E58F0, 16 bytes long.
 Data: <  m&#215;2           > 80 8F 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000232D76E6110, 16 bytes long.
 Data: <X m&#215;2           > 58 8F 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000232D76E6020, 16 bytes long.
 Data: <0 m&#215;2           > 30 8F 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000232D76E55D0, 16 bytes long.
 Data: <  m&#215;2           > 08 8F 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000232D76E5AD0, 16 bytes long.
 Data: <&#224;&#142;m&#215;2           > E0 8E 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000232D76E5A80, 16 bytes long.
 Data: <&#184;&#142;m&#215;2           > B8 8E 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000232D76DEDD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000232D76E61B0, 16 bytes long.
 Data: < &#142;m&#215;2           > 90 8E 6D D7 32 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000232D76D8E90, 320 bytes long.
 Data: <&#176;an&#215;2   &#208;&#237;m&#215;2   > B0 61 6E D7 32 02 00 00 D0 ED 6D D7 32 02 00 00 
{274} normal block at 0x00000232D76E5F30, 16 bytes long.
 Data: <Pen&#215;2           > 50 65 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000232D76E5EE0, 16 bytes long.
 Data: <(en&#215;2           > 28 65 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000232D76DED10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000232D76E5E90, 16 bytes long.
 Data: < en&#215;2           > 00 65 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000232D76DEA70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000232D76E5710, 16 bytes long.
 Data: <Hdn&#215;2           > 48 64 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000232D76E62A0, 16 bytes long.
 Data: < dn&#215;2           > 20 64 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000232D76E5DF0, 16 bytes long.
 Data: <&#248;cn&#215;2           > F8 63 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000232D76E59E0, 16 bytes long.
 Data: <&#208;cn&#215;2           > D0 63 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000232D76E5990, 16 bytes long.
 Data: <&#168;cn&#215;2           > A8 63 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000232D76E54E0, 16 bytes long.
 Data: < cn&#215;2           > 80 63 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000232D76E5A30, 16 bytes long.
 Data: <&#224;Fn&#215;2           > E0 46 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000232D76E46E0, 40 bytes long.
 Data: <0Zn&#215;2    u/&#217;2   > 30 5A 6E D7 32 02 00 00 80 75 2F D9 32 02 00 00 
{260} normal block at 0x00000232D76E5D50, 16 bytes long.
 Data: <`cn&#215;2           > 60 63 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000232D76E5DA0, 16 bytes long.
 Data: <8cn&#215;2           > 38 63 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000232D76DEA10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000232D76E58A0, 16 bytes long.
 Data: < cn&#215;2           > 10 63 6E D7 32 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000232D76E6310, 992 bytes long.
 Data: <&#160;Xn&#215;2    &#234;m&#215;2   > A0 58 6E D7 32 02 00 00 10 EA 6D D7 32 02 00 00 
{92} normal block at 0x00000232D76DE8F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000232D76E0330, 16 bytes long.
 Data: <@&#199;l&#215;2           > 40 C7 6C D7 32 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000232D76CC740, 40 bytes long.
 Data: <0 n&#215;2   &#240;&#232;m&#215;2   > 30 03 6E D7 32 02 00 00 F0 E8 6D D7 32 02 00 00 
{69} normal block at 0x00000232D76DF700, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000232D76DFFC0, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000232D76E02E0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000232D76E01F0, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000232D76DFC50, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000232D76DFB60, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000232D76DFC00, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000232D76E0290, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000232D76DFF70, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000232D76E0150, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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