Task 38660450

Name test_149-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND3600_0
Workunit 31603955
Created 24 Oct 2026, 14:10:54 UTC
Sent 24 Oct 2026, 14:13:28 UTC
Report deadline 29 Oct 2026, 14:13:28 UTC
Received 24 Oct 2026, 21:12:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613630
Run time 27 min 53 sec
CPU time 23 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 106,061.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.03 MB
Peak swap size 7.22 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:34:23 (5724): wrapper (7.9.26016): starting
10:34:23 (5724): 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
10:34:26 (5724): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:34:26 (5724): 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
11:01:51 (5724): C:/Windows/system32/cmd.exe exited; CPU time 1439.781250
11:01:51 (5724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 22327787 bytes.
Dumping objects ->
{3835577} normal block at 0x000001DA5EB87000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835566} normal block at 0x000001DA5EB87770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835555} normal block at 0x000001DA5EB86C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835544} normal block at 0x000001DA5EB87620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001DA5CE34C40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835502} normal block at 0x000001DA5EAFF200, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x000001DA5CE5DAC0, 155 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) : {3835488} normal block at 0x000001DA5CE2F7F0, 8 bytes long.
 Data: <  @]&#218;   > 00 00 40 5D DA 01 00 00 
{3834707} normal block at 0x000001DA5CE5D2E0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001DA5CE2FE80, 8 bytes long.
 Data: <@ &#181;^&#218;   > 40 7F B5 5E DA 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001DA5CE2C3F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001DA5CE265D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001DA5CE39850, 16 bytes long.
 Data: < &#165;&#227;\&#218;           > 98 A5 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001DA5CE396C0, 16 bytes long.
 Data: <p&#165;&#227;\&#218;           > 70 A5 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001DA5CE33EB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001DA5CE39530, 16 bytes long.
 Data: <H&#165;&#227;\&#218;           > 48 A5 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DA5CE39B20, 16 bytes long.
 Data: < &#165;&#227;\&#218;           > 20 A5 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DA5CE39440, 16 bytes long.
 Data: <&#248;&#164;&#227;\&#218;           > F8 A4 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DA5CE397B0, 16 bytes long.
 Data: <&#208;&#164;&#227;\&#218;           > D0 A4 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DA5CE350A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001DA5CE394E0, 16 bytes long.
 Data: <&#184;&#237;&#225;\&#218;           > B8 ED E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DA5CE33730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001DA5CE393A0, 16 bytes long.
 Data: < &#237;&#225;\&#218;           > 90 ED E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DA5CE39760, 16 bytes long.
 Data: <h&#237;&#225;\&#218;           > 68 ED E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DA5CE398A0, 16 bytes long.
 Data: <@&#237;&#225;\&#218;           > 40 ED E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DA5CE398F0, 16 bytes long.
 Data: < &#237;&#225;\&#218;           > 18 ED E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DA5CE39350, 16 bytes long.
 Data: <&#240;&#236;&#225;\&#218;           > F0 EC E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DA5CE39C10, 16 bytes long.
 Data: <&#200;&#236;&#225;\&#218;           > C8 EC E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DA5CE33250, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001DA5CE3A200, 16 bytes long.
 Data: <&#160;&#236;&#225;\&#218;           > A0 EC E1 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DA5CE1ECA0, 320 bytes long.
 Data: < &#162;&#227;\&#218;   P2&#227;\&#218;   > 00 A2 E3 5C DA 01 00 00 50 32 E3 5C DA 01 00 00 
{280} normal block at 0x000001DA5CE39490, 16 bytes long.
 Data: <&#176;&#164;&#227;\&#218;           > B0 A4 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DA5CE39CB0, 16 bytes long.
 Data: < &#164;&#227;\&#218;           > 88 A4 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DA5CE334F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001DA5CE39620, 16 bytes long.
 Data: <`&#164;&#227;\&#218;           > 60 A4 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DA5CE335B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001DA5CE3A1B0, 16 bytes long.
 Data: <&#168;&#163;&#227;\&#218;           > A8 A3 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DA5CE39F80, 16 bytes long.
 Data: < &#163;&#227;\&#218;           > 80 A3 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DA5CE39F30, 16 bytes long.
 Data: <X&#163;&#227;\&#218;           > 58 A3 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DA5CE39AD0, 16 bytes long.
 Data: <0&#163;&#227;\&#218;           > 30 A3 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DA5CE39BC0, 16 bytes long.
 Data: < &#163;&#227;\&#218;           > 08 A3 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DA5CE3A110, 16 bytes long.
 Data: <&#224;&#162;&#227;\&#218;           > E0 A2 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DA5CE39D00, 16 bytes long.
 Data: <pN&#227;\&#218;           > 70 4E E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DA5CE34E70, 40 bytes long.
 Data: <  &#227;\&#218;    &#242;&#175;^&#218;   > 00 9D E3 5C DA 01 00 00 00 F2 AF 5E DA 01 00 00 
{266} normal block at 0x000001DA5CE39A30, 16 bytes long.
 Data: <&#192;&#162;&#227;\&#218;           > C0 A2 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DA5CE39300, 16 bytes long.
 Data: < &#162;&#227;\&#218;           > 98 A2 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DA5CE33370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001DA5CE3A0C0, 16 bytes long.
 Data: <p&#162;&#227;\&#218;           > 70 A2 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DA5CE3A270, 992 bytes long.
 Data: <&#192;&#160;&#227;\&#218;   p3&#227;\&#218;   > C0 A0 E3 5C DA 01 00 00 70 33 E3 5C DA 01 00 00 
{98} normal block at 0x000001DA5CE33130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001DA5CE2FB60, 16 bytes long.
 Data: < Q&#227;\&#218;           > 10 51 E3 5C DA 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001DA5CE35110, 40 bytes long.
 Data: <`&#251;&#226;\&#218;   01&#227;\&#218;   > 60 FB E2 5C DA 01 00 00 30 31 E3 5C DA 01 00 00 
{75} normal block at 0x000001DA5CE2F570, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001DA5CE2FE30, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 81 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001DA5CE2F660, 16 bytes long.
 Data: <&#248;W~ &#246;           > F8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001DA5CE2F9D0, 16 bytes long.
 Data: <&#216;W~ &#246;           > D8 57 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001DA5CE2F930, 16 bytes long.
 Data: <P ~ &#246;           > 50 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DA5CE2FD40, 16 bytes long.
 Data: <0 ~ &#246;           > 30 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DA5CE2F520, 16 bytes long.
 Data: <&#224; ~ &#246;           > E0 02 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DA5CE2FBB0, 16 bytes long.
 Data: <  ~ &#246;           > 10 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DA5CE2F1B0, 16 bytes long.
 Data: <p ~ &#246;           > 70 04 7E 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DA5CE2F610, 16 bytes long.
 Data: < &#192;| &#246;           > 18 C0 7C 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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