Task 38677232

Name test_900-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND5878_0
Workunit 31619113
Created 26 Oct 2026, 13:40:57 UTC
Sent 26 Oct 2026, 13:41:02 UTC
Report deadline 31 Oct 2026, 13:41:02 UTC
Received 26 Oct 2026, 14:13:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 31 min 20 sec
CPU time 26 min 43 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 703.30 MB
Peak swap size 3.94 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:43:18 (68696): wrapper (7.9.26016): starting
06:43:18 (68696): 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
06:43:20 (68696): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:43:20 (68696): 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\0\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\0\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
07:12:33 (68696): C:/Windows/system32/cmd.exe exited; CPU time 1603.406250
07:12:33 (68696): 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: 21814979 bytes.
Dumping objects ->
{3835275} normal block at 0x000001B53F34C460, 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 0x000001B53D78A940, 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 0x000001B53D78B270, 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 0x000001B53D78A4E0, 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 0x000001B53D78A550, 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 0x000001B53F34C2E0, 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 0x000001B53F360E00, 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 0x000001B53D761D70, 8 bytes long.
 Data: <  &#168;=&#181;   > 00 00 A8 3D B5 01 00 00 
{3834579} normal block at 0x000001B53F3607D0, 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 0x000001B53D7624A0, 8 bytes long.
 Data: < Q-?&#181;   > 90 51 2D 3F B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001B53D7635F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001B53D74F800, 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 0x000001B53D767F10, 16 bytes long.
 Data: <&#168;&#130;v=&#181;           > A8 82 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001B53D767790, 16 bytes long.
 Data: < &#130;v=&#181;           > 80 82 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001B53D75EE70, 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 0x000001B53D767C40, 16 bytes long.
 Data: <X&#130;v=&#181;           > 58 82 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001B53D767B00, 16 bytes long.
 Data: <0&#130;v=&#181;           > 30 82 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001B53D767740, 16 bytes long.
 Data: < &#130;v=&#181;           > 08 82 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001B53D7676F0, 16 bytes long.
 Data: <&#224; v=&#181;           > E0 81 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001B53D75F7D0, 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 0x000001B53D767EC0, 16 bytes long.
 Data: <  u=&#181;           > 18 1A 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001B53D75F1D0, 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 0x000001B53D7671A0, 16 bytes long.
 Data: <&#240; u=&#181;           > F0 19 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B53D7676A0, 16 bytes long.
 Data: <&#200; u=&#181;           > C8 19 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B53D767420, 16 bytes long.
 Data: <&#160; u=&#181;           > A0 19 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B53D767A60, 16 bytes long.
 Data: <x u=&#181;           > 78 19 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B53D767100, 16 bytes long.
 Data: <P u=&#181;           > 50 19 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B53D767E70, 16 bytes long.
 Data: <( u=&#181;           > 28 19 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B53D75F2F0, 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 0x000001B53D767920, 16 bytes long.
 Data: <  u=&#181;           > 00 19 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B53D751900, 320 bytes long.
 Data: < yv=&#181;   &#240;&#242;u=&#181;   > 20 79 76 3D B5 01 00 00 F0 F2 75 3D B5 01 00 00 
{290} normal block at 0x000001B53D767600, 16 bytes long.
 Data: <&#192; v=&#181;           > C0 81 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B53D767380, 16 bytes long.
 Data: <  v=&#181;           > 98 81 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B53D75EF30, 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 0x000001B53D767510, 16 bytes long.
 Data: <p v=&#181;           > 70 81 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B53D75ED50, 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 0x000001B53D767D30, 16 bytes long.
 Data: <&#184; v=&#181;           > B8 80 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B53D7675B0, 16 bytes long.
 Data: <  v=&#181;           > 90 80 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B53D767AB0, 16 bytes long.
 Data: <h v=&#181;           > 68 80 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B53D767330, 16 bytes long.
 Data: <@ v=&#181;           > 40 80 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B53D767A10, 16 bytes long.
 Data: <  v=&#181;           > 18 80 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B53D7674C0, 16 bytes long.
 Data: <&#240; v=&#181;           > F0 7F 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B53D767DD0, 16 bytes long.
 Data: < &#249;u=&#181;           > 90 F9 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B53D75F990, 40 bytes long.
 Data: <&#208;}v=&#181;   &#224;&#194;4?&#181;   > D0 7D 76 3D B5 01 00 00 E0 C2 34 3F B5 01 00 00 
{276} normal block at 0x000001B53D767290, 16 bytes long.
 Data: <&#208; v=&#181;           > D0 7F 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B53D767CE0, 16 bytes long.
 Data: <&#168; v=&#181;           > A8 7F 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B53D75E930, 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 0x000001B53D7670B0, 16 bytes long.
 Data: <  v=&#181;           > 80 7F 76 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B53D767F80, 992 bytes long.
 Data: <&#176;pv=&#181;   0&#233;u=&#181;   > B0 70 76 3D B5 01 00 00 30 E9 75 3D B5 01 00 00 
{108} normal block at 0x000001B53D75E7B0, 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 0x000001B53D762180, 16 bytes long.
 Data: <p&#250;u=&#181;           > 70 FA 75 3D B5 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001B53D75FA70, 40 bytes long.
 Data: < !v=&#181;   &#176;&#231;u=&#181;   > 80 21 76 3D B5 01 00 00 B0 E7 75 3D B5 01 00 00 
{85} normal block at 0x000001B53D761780, 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 0x000001B53D7618C0, 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 0x000001B53D761C80, 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 0x000001B53D761820, 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 0x000001B53D762400, 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 0x000001B53D761C30, 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 0x000001B53D761BE0, 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 0x000001B53D762360, 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 0x000001B53D7622C0, 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 0x000001B53D762310, 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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