Task 38668895

Name test_81-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7543_0
Workunit 31611314
Created 25 Oct 2026, 13:04:19 UTC
Sent 25 Oct 2026, 13:04:27 UTC
Report deadline 30 Oct 2026, 13:04:27 UTC
Received 25 Oct 2026, 13:41:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626472
Run time 18 min 10 sec
CPU time 17 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 60,322.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.96 MB
Peak swap size 13.07 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:23:53 (3164): wrapper (7.9.26016): starting
14:23:53 (3164): 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
14:23:54 (3164): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:23:54 (3164): 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\32\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\32\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
14:41:14 (3164): C:/Windows/system32/cmd.exe exited; CPU time 1023.578125
14:41:14 (3164): 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: 26519817 bytes.
Dumping objects ->
{3835490} normal block at 0x0000021AEF07D810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000021AEF07D340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000021AEF07D5E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x0000021AEF07D880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000021AED214FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x0000021AEF0CBCC0, 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) : {3835402} normal block at 0x0000021AED20DEB0, 8 bytes long.
 Data: <  u&#237;    > 00 00 75 ED 1A 02 00 00 
{3833963} normal block at 0x0000021AED20E310, 8 bytes long.
 Data: <PQ &#239;    > 50 51 12 EF 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000021AED211F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021AED206DF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000021AED216980, 16 bytes long.
 Data: <&#232;o!&#237;            > E8 6F 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021AED2167F0, 16 bytes long.
 Data: <&#192;o!&#237;            > C0 6F 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021AED20FC80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000021AED216020, 16 bytes long.
 Data: < o!&#237;            > 98 6F 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021AED216480, 16 bytes long.
 Data: <po!&#237;            > 70 6F 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021AED216A20, 16 bytes long.
 Data: <Ho!&#237;            > 48 6F 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021AED2162F0, 16 bytes long.
 Data: < o!&#237;            > 20 6F 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021AED2151E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000021AED215F80, 16 bytes long.
 Data: < &#248; &#237;            > 98 F8 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021AED20FBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000021AED216840, 16 bytes long.
 Data: <p&#248; &#237;            > 70 F8 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021AED215FD0, 16 bytes long.
 Data: <H&#248; &#237;            > 48 F8 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021AED215F30, 16 bytes long.
 Data: < &#248; &#237;            > 20 F8 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021AED216160, 16 bytes long.
 Data: <&#248;&#247; &#237;            > F8 F7 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021AED216660, 16 bytes long.
 Data: <&#208;&#247; &#237;            > D0 F7 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021AED216430, 16 bytes long.
 Data: <&#168;&#247; &#237;            > A8 F7 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021AED20F9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000021AED216AC0, 16 bytes long.
 Data: < &#247; &#237;            > 80 F7 1F ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021AED1FF780, 320 bytes long.
 Data: <&#192;j!&#237;    &#224;&#249; &#237;    > C0 6A 21 ED 1A 02 00 00 E0 F9 20 ED 1A 02 00 00 
{277} normal block at 0x0000021AED216110, 16 bytes long.
 Data: < o!&#237;            > 00 6F 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021AED2162A0, 16 bytes long.
 Data: <&#216;n!&#237;            > D8 6E 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021AED20FC20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000021AED215EE0, 16 bytes long.
 Data: <&#176;n!&#237;            > B0 6E 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021AED210160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000021AED215E90, 16 bytes long.
 Data: <&#248;m!&#237;            > F8 6D 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021AED2164D0, 16 bytes long.
 Data: <&#208;m!&#237;            > D0 6D 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021AED216610, 16 bytes long.
 Data: <&#168;m!&#237;            > A8 6D 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021AED216C50, 16 bytes long.
 Data: < m!&#237;            > 80 6D 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021AED215D00, 16 bytes long.
 Data: <Xm!&#237;            > 58 6D 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021AED2165C0, 16 bytes long.
 Data: <0m!&#237;            > 30 6D 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021AED215DF0, 16 bytes long.
 Data: <pQ!&#237;            > 70 51 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021AED215170, 40 bytes long.
 Data: <&#240;]!&#237;    &#192;&#188; &#239;    > F0 5D 21 ED 1A 02 00 00 C0 BC 0C EF 1A 02 00 00 
{263} normal block at 0x0000021AED216520, 16 bytes long.
 Data: < m!&#237;            > 10 6D 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021AED215E40, 16 bytes long.
 Data: <&#232;l!&#237;            > E8 6C 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021AED20FD40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000021AED216200, 16 bytes long.
 Data: <&#192;l!&#237;            > C0 6C 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021AED216CC0, 992 bytes long.
 Data: < b!&#237;    @&#253; &#237;    > 00 62 21 ED 1A 02 00 00 40 FD 20 ED 1A 02 00 00 
{95} normal block at 0x0000021AED2103A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000021AED20DCD0, 16 bytes long.
 Data: <0S!&#237;            > 30 53 21 ED 1A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000021AED215330, 40 bytes long.
 Data: <&#208;&#220; &#237;    &#160; !&#237;    > D0 DC 20 ED 1A 02 00 00 A0 03 21 ED 1A 02 00 00 
{72} normal block at 0x0000021AED20E6D0, 16 bytes long.
 Data: < &#234; &#184;&#246;           > 80 EA 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021AED20E680, 16 bytes long.
 Data: <@&#233; &#184;&#246;           > 40 E9 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021AED20DF50, 16 bytes long.
 Data: <&#248;W&#254;&#183;&#246;           > F8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021AED20E3B0, 16 bytes long.
 Data: <&#216;W&#254;&#183;&#246;           > D8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021AED20DC80, 16 bytes long.
 Data: <P &#254;&#183;&#246;           > 50 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021AED20DD20, 16 bytes long.
 Data: <0 &#254;&#183;&#246;           > 30 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021AED20DFA0, 16 bytes long.
 Data: <&#224; &#254;&#183;&#246;           > E0 02 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021AED20DE10, 16 bytes long.
 Data: <  &#254;&#183;&#246;           > 10 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021AED20E040, 16 bytes long.
 Data: <p &#254;&#183;&#246;           > 70 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021AED20DC30, 16 bytes long.
 Data: < &#192;&#252;&#183;&#246;           > 18 C0 FC B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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