Task 38679807

Name test_143-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7187_0
Workunit 31621567
Created 26 Oct 2026, 21:50:40 UTC
Sent 26 Oct 2026, 21:50:44 UTC
Report deadline 31 Oct 2026, 21:50:44 UTC
Received 26 Oct 2026, 23:31:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 34 min 11 sec
CPU time 34 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.32 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:59:34 (35744): wrapper (7.9.26016): starting
15:59:34 (35744): 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
15:59:35 (35744): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:59:35 (35744): 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\4\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\4\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
16:30:49 (35744): C:/Windows/system32/cmd.exe exited; CPU time 2051.921875
16:30:49 (35744): 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: 31893041 bytes.
Dumping objects ->
{3835233} normal block at 0x000001F1FC1814F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001F1FC181100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001F1FC180F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x000001F1FC181020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x000001F1FC1815D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x000001F1FC274E20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x000001F1FC28D7B0, 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) : {3835144} normal block at 0x000001F1FA628420, 8 bytes long.
 Data: <  Y&#250;&#241;   > 00 00 59 FA F1 01 00 00 
{3834540} normal block at 0x000001F1FC28D650, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001F1FA628880, 8 bytes long.
 Data: < &#234; &#252;&#241;   > 00 EA 18 FC F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F1FA615F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F1FA61D6C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F1FA633630, 16 bytes long.
 Data: <(Nc&#250;&#241;           > 28 4E 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F1FA6334A0, 16 bytes long.
 Data: < Nc&#250;&#241;           > 00 4E 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F1FA62D1D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F1FA632AA0, 16 bytes long.
 Data: <&#216;Mc&#250;&#241;           > D8 4D 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F1FA632C80, 16 bytes long.
 Data: <&#176;Mc&#250;&#241;           > B0 4D 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F1FA6327D0, 16 bytes long.
 Data: < Mc&#250;&#241;           > 88 4D 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F1FA633450, 16 bytes long.
 Data: <`Mc&#250;&#241;           > 60 4D 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F1FA62E750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F1FA633180, 16 bytes long.
 Data: <&#232;&#191;a&#250;&#241;           > E8 BF 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F1FA62D5F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F1FA633130, 16 bytes long.
 Data: <&#192;&#191;a&#250;&#241;           > C0 BF 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F1FA632780, 16 bytes long.
 Data: < &#191;a&#250;&#241;           > 98 BF 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F1FA633400, 16 bytes long.
 Data: <p&#191;a&#250;&#241;           > 70 BF 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F1FA632960, 16 bytes long.
 Data: <H&#191;a&#250;&#241;           > 48 BF 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F1FA633040, 16 bytes long.
 Data: < &#191;a&#250;&#241;           > 20 BF 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F1FA632FA0, 16 bytes long.
 Data: <&#248;&#190;a&#250;&#241;           > F8 BE 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F1FA62D290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F1FA6330E0, 16 bytes long.
 Data: <&#208;&#190;a&#250;&#241;           > D0 BE 61 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F1FA61BED0, 320 bytes long.
 Data: <&#224;0c&#250;&#241;    &#210;b&#250;&#241;   > E0 30 63 FA F1 01 00 00 90 D2 62 FA F1 01 00 00 
{275} normal block at 0x000001F1FA632D20, 16 bytes long.
 Data: <@Mc&#250;&#241;           > 40 4D 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F1FA632910, 16 bytes long.
 Data: < Mc&#250;&#241;           > 18 4D 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F1FA62CE10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F1FA632870, 16 bytes long.
 Data: <&#240;Lc&#250;&#241;           > F0 4C 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F1FA62D170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F1FA632F00, 16 bytes long.
 Data: <8Lc&#250;&#241;           > 38 4C 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F1FA632B90, 16 bytes long.
 Data: < Lc&#250;&#241;           > 10 4C 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F1FA632B40, 16 bytes long.
 Data: <&#232;Kc&#250;&#241;           > E8 4B 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F1FA6333B0, 16 bytes long.
 Data: <&#192;Kc&#250;&#241;           > C0 4B 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F1FA632A50, 16 bytes long.
 Data: < Kc&#250;&#241;           > 98 4B 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F1FA633360, 16 bytes long.
 Data: <pKc&#250;&#241;           > 70 4B 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F1FA6331D0, 16 bytes long.
 Data: <&#224;&#230;b&#250;&#241;           > E0 E6 62 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F1FA62E6E0, 40 bytes long.
 Data: <&#208;1c&#250;&#241;    N'&#252;&#241;   > D0 31 63 FA F1 01 00 00 20 4E 27 FC F1 01 00 00 
{261} normal block at 0x000001F1FA633310, 16 bytes long.
 Data: <PKc&#250;&#241;           > 50 4B 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F1FA633540, 16 bytes long.
 Data: <(Kc&#250;&#241;           > 28 4B 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F1FA62C750, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F1FA6328C0, 16 bytes long.
 Data: < Kc&#250;&#241;           > 00 4B 63 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F1FA634B00, 992 bytes long.
 Data: <&#192;(c&#250;&#241;   P&#199;b&#250;&#241;   > C0 28 63 FA F1 01 00 00 50 C7 62 FA F1 01 00 00 
{93} normal block at 0x000001F1FA62D530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F1FA628830, 16 bytes long.
 Data: <p&#230;b&#250;&#241;           > 70 E6 62 FA F1 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F1FA62E670, 40 bytes long.
 Data: <0 b&#250;&#241;   0&#213;b&#250;&#241;   > 30 88 62 FA F1 01 00 00 30 D5 62 FA F1 01 00 00 
{70} normal block at 0x000001F1FA6287E0, 16 bytes long.
 Data: < &#234;)&#210;&#247;           > 80 EA 29 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F1FA628600, 16 bytes long.
 Data: <@&#233;)&#210;&#247;           > 40 E9 29 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F1FA628560, 16 bytes long.
 Data: <&#248;W&&#210;&#247;           > F8 57 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F1FA628790, 16 bytes long.
 Data: <&#216;W&&#210;&#247;           > D8 57 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F1FA628240, 16 bytes long.
 Data: <P &&#210;&#247;           > 50 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F1FA6281F0, 16 bytes long.
 Data: <0 &&#210;&#247;           > 30 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F1FA628290, 16 bytes long.
 Data: <&#224; &&#210;&#247;           > E0 02 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F1FA6281A0, 16 bytes long.
 Data: <  &&#210;&#247;           > 10 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F1FA627B60, 16 bytes long.
 Data: <p &&#210;&#247;           > 70 04 26 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F1FA627C50, 16 bytes long.
 Data: < &#192;$&#210;&#247;           > 18 C0 24 D2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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