Task 38677977

Name test_287-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9350_0
Workunit 31619823
Created 26 Oct 2026, 16:00:44 UTC
Sent 26 Oct 2026, 16:00:47 UTC
Report deadline 31 Oct 2026, 16:00:47 UTC
Received 26 Oct 2026, 16:39:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 37 min 31 sec
CPU time 32 min 37 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 695.49 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>
09:03:19 (20940): wrapper (7.9.26016): starting
09:03:19 (20940): 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
09:03:21 (20940): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:03:21 (20940): 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\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 'D:\S0_4_Boinc-Ssd_mp_80GB\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
09:38:57 (20940): C:/Windows/system32/cmd.exe exited; CPU time 1957.687500
09:38:57 (20940): 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: 26357707 bytes.
Dumping objects ->
{3835275} normal block at 0x0000024F357BCF10, 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 0x0000024F33ADB520, 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 0x0000024F33ADB1A0, 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 0x0000024F33ADB050, 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 0x0000024F33ADACD0, 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 0x0000024F357BDD10, 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 0x0000024F357D1010, 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 0x0000024F33AB21A0, 8 bytes long.
 Data: <  &#240;3O   > 00 00 F0 33 4F 02 00 00 
{3834579} normal block at 0x0000024F357D0D50, 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 0x0000024F33AB1C50, 8 bytes long.
 Data: <&#240;&#185; 5O   > F0 B9 80 35 4F 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000024F33AB3610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000024F33AA7BC0, 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 0x0000024F33AB77C0, 16 bytes long.
 Data: < &#135;&#171;3O           > 88 87 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000024F33AB8350, 16 bytes long.
 Data: <`&#135;&#171;3O           > 60 87 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000024F33AAF5E0, 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 0x0000024F33AB7F90, 16 bytes long.
 Data: <8&#135;&#171;3O           > 38 87 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000024F33AB7950, 16 bytes long.
 Data: < &#135;&#171;3O           > 10 87 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000024F33AB7900, 16 bytes long.
 Data: <&#232;&#134;&#171;3O           > E8 86 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000024F33AB7D10, 16 bytes long.
 Data: <&#192;&#134;&#171;3O           > C0 86 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000024F33AB0580, 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 0x0000024F33AB7720, 16 bytes long.
 Data: <h &#170;3O           > 68 04 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000024F33AAE9E0, 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 0x0000024F33AB7E50, 16 bytes long.
 Data: <@ &#170;3O           > 40 04 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024F33AB8260, 16 bytes long.
 Data: <  &#170;3O           > 18 04 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024F33AB7D60, 16 bytes long.
 Data: <&#240; &#170;3O           > F0 03 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024F33AB80D0, 16 bytes long.
 Data: <&#200; &#170;3O           > C8 03 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024F33AB7630, 16 bytes long.
 Data: <&#160; &#170;3O           > A0 03 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024F33AB7AE0, 16 bytes long.
 Data: <x &#170;3O           > 78 03 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024F33AAF3A0, 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 0x0000024F33AB7F40, 16 bytes long.
 Data: <P &#170;3O           > 50 03 AA 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024F33AA0350, 320 bytes long.
 Data: <@ &#171;3O   &#160;&#243;&#170;3O   > 40 7F AB 33 4F 02 00 00 A0 F3 AA 33 4F 02 00 00 
{290} normal block at 0x0000024F33AB7590, 16 bytes long.
 Data: <&#160;&#134;&#171;3O           > A0 86 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024F33AB8080, 16 bytes long.
 Data: <x&#134;&#171;3O           > 78 86 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024F33AAEE60, 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 0x0000024F33AB7810, 16 bytes long.
 Data: <P&#134;&#171;3O           > 50 86 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024F33AAF460, 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 0x0000024F33AB79F0, 16 bytes long.
 Data: < &#133;&#171;3O           > 98 85 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024F33AB7FE0, 16 bytes long.
 Data: <p&#133;&#171;3O           > 70 85 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024F33AB79A0, 16 bytes long.
 Data: <H&#133;&#171;3O           > 48 85 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024F33AB81C0, 16 bytes long.
 Data: < &#133;&#171;3O           > 20 85 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024F33AB7BD0, 16 bytes long.
 Data: <&#248;&#132;&#171;3O           > F8 84 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024F33AB7540, 16 bytes long.
 Data: <&#208;&#132;&#171;3O           > D0 84 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024F33AB8210, 16 bytes long.
 Data: <  &#171;3O           > 10 05 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024F33AB0510, 40 bytes long.
 Data: < &#130;&#171;3O    &#221;{5O   > 10 82 AB 33 4F 02 00 00 10 DD 7B 35 4F 02 00 00 
{276} normal block at 0x0000024F33AB74A0, 16 bytes long.
 Data: <&#176;&#132;&#171;3O           > B0 84 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024F33AB8300, 16 bytes long.
 Data: < &#132;&#171;3O           > 88 84 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024F33AAEFE0, 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 0x0000024F33AB7EA0, 16 bytes long.
 Data: <`&#132;&#171;3O           > 60 84 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024F33AB8460, 992 bytes long.
 Data: <&#160;~&#171;3O   &#224;&#239;&#170;3O   > A0 7E AB 33 4F 02 00 00 E0 EF AA 33 4F 02 00 00 
{108} normal block at 0x0000024F33AAF100, 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 0x0000024F33AB1C00, 16 bytes long.
 Data: <&#208; &#171;3O           > D0 06 AB 33 4F 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000024F33AB06D0, 40 bytes long.
 Data: <  &#171;3O    &#241;&#170;3O   > 00 1C AB 33 4F 02 00 00 00 F1 AA 33 4F 02 00 00 
{85} normal block at 0x0000024F33AB1D40, 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 0x0000024F33AB1DE0, 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 0x0000024F33AB2330, 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 0x0000024F33AB2920, 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 0x0000024F33AB2830, 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 0x0000024F33AB22E0, 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 0x0000024F33AB21F0, 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 0x0000024F33AB2560, 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 0x0000024F33AB2600, 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 0x0000024F33AB1CF0, 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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