Task 38666562

Name test_265-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8375_1
Workunit 31609365
Created 25 Oct 2026, 3:49:26 UTC
Sent 25 Oct 2026, 4:05:02 UTC
Report deadline 30 Oct 2026, 4:05:02 UTC
Received 25 Oct 2026, 4:36:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 29 min 37 sec
CPU time 25 min 49 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 694.50 MB
Peak swap size 3.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:07:19 (39688): wrapper (7.9.26016): starting
21:07:19 (39688): 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
21:07:20 (39688): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:07:20 (39688): 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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\3\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 'D:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\3\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
21:35:23 (39688): C:/Windows/system32/cmd.exe exited; CPU time 1549.171875
21:35:23 (39688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 20625811 bytes.
Dumping objects ->
{3835275} normal block at 0x000002717515A7A0, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835264} normal block at 0x00000271734FCCB0, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835253} normal block at 0x00000271734FCEE0, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835242} normal block at 0x00000271734FCFC0, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835231} normal block at 0x00000271734FCAF0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835200} normal block at 0x000002717515A520, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835189} normal block at 0x0000027175172D80, 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) : {3835186} normal block at 0x00000271734D1F40, 8 bytes long.
 Data: <   sq   > 00 00 99 73 71 02 00 00 
{3834579} normal block at 0x0000027175172CD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x00000271734D1BD0, 8 bytes long.
 Data: < &#232;Zsq   > 80 E8 5A 73 71 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000271734D36D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000271734C7CE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x00000271734D9680, 16 bytes long.
 Data: <x&#163;Msq           > 78 A3 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000271734D9630, 16 bytes long.
 Data: <P&#163;Msq           > 50 A3 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000271734CEA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x00000271734D9090, 16 bytes long.
 Data: <(&#163;Msq           > 28 A3 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000271734D9AE0, 16 bytes long.
 Data: < &#163;Msq           > 00 A3 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000271734D9450, 16 bytes long.
 Data: <&#216;&#162;Msq           > D8 A2 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000271734D97C0, 16 bytes long.
 Data: <&#176;&#162;Msq           > B0 A2 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000271734D02D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x00000271734D9D60, 16 bytes long.
 Data: <x Lsq           > 78 04 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000271734CEA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x00000271734D9D10, 16 bytes long.
 Data: <P Lsq           > 50 04 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000271734D9770, 16 bytes long.
 Data: <( Lsq           > 28 04 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000271734D95E0, 16 bytes long.
 Data: <  Lsq           > 00 04 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000271734D9F40, 16 bytes long.
 Data: <&#216; Lsq           > D8 03 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000271734D9540, 16 bytes long.
 Data: <&#176; Lsq           > B0 03 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000271734D96D0, 16 bytes long.
 Data: <  Lsq           > 88 03 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000271734CF020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x00000271734D9400, 16 bytes long.
 Data: <` Lsq           > 60 03 4C 73 71 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000271734C0360, 320 bytes long.
 Data: < &#148;Msq    &#240;Lsq   > 00 94 4D 73 71 02 00 00 20 F0 4C 73 71 02 00 00 
{290} normal block at 0x00000271734D9360, 16 bytes long.
 Data: < &#162;Msq           > 90 A2 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000271734D9F90, 16 bytes long.
 Data: <h&#162;Msq           > 68 A2 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000271734CF4A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x00000271734D9310, 16 bytes long.
 Data: <@&#162;Msq           > 40 A2 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000271734CEAE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x00000271734D99F0, 16 bytes long.
 Data: < &#161;Msq           > 88 A1 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000271734D9A40, 16 bytes long.
 Data: <`&#161;Msq           > 60 A1 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000271734D9FE0, 16 bytes long.
 Data: <8&#161;Msq           > 38 A1 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000271734D9A90, 16 bytes long.
 Data: < &#161;Msq           > 10 A1 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000271734D99A0, 16 bytes long.
 Data: <&#232;&#160;Msq           > E8 A0 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000271734D9C70, 16 bytes long.
 Data: <&#192;&#160;Msq           > C0 A0 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000271734D91D0, 16 bytes long.
 Data: <p Msq           > 70 05 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000271734D0570, 40 bytes long.
 Data: <&#208;&#145;Msq    &#165; uq   > D0 91 4D 73 71 02 00 00 20 A5 15 75 71 02 00 00 
{276} normal block at 0x00000271734D94F0, 16 bytes long.
 Data: <&#160;&#160;Msq           > A0 A0 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000271734D9B80, 16 bytes long.
 Data: <x&#160;Msq           > 78 A0 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000271734CEFC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x00000271734D9DB0, 16 bytes long.
 Data: <P&#160;Msq           > 50 A0 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000271734DA050, 992 bytes long.
 Data: <&#176; Msq   &#192;&#239;Lsq   > B0 9D 4D 73 71 02 00 00 C0 EF 4C 73 71 02 00 00 
{108} normal block at 0x00000271734CF5C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x00000271734D2710, 16 bytes long.
 Data: <P Msq           > 50 06 4D 73 71 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000271734D0650, 40 bytes long.
 Data: < 'Msq   &#192;&#245;Lsq   > 10 27 4D 73 71 02 00 00 C0 F5 4C 73 71 02 00 00 
{85} normal block at 0x00000271734D2940, 16 bytes long.
 Data: < &#234;&#195;V&#247;           > 80 EA C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000271734D2030, 16 bytes long.
 Data: <@&#233;&#195;V&#247;           > 40 E9 C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000271734D2760, 16 bytes long.
 Data: <&#248;W&#192;V&#247;           > F8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000271734D1AE0, 16 bytes long.
 Data: <&#216;W&#192;V&#247;           > D8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000271734D2350, 16 bytes long.
 Data: <P &#192;V&#247;           > 50 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000271734D1EF0, 16 bytes long.
 Data: <0 &#192;V&#247;           > 30 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000271734D2850, 16 bytes long.
 Data: <&#224; &#192;V&#247;           > E0 02 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000271734D1D60, 16 bytes long.
 Data: <  &#192;V&#247;           > 10 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000271734D1A90, 16 bytes long.
 Data: <p &#192;V&#247;           > 70 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000271734D2580, 16 bytes long.
 Data: < &#192;&#190;V&#247;           > 18 C0 BE 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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