Task 38676798

Name test_948-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7981_0
Workunit 31618696
Created 26 Oct 2026, 12:23:24 UTC
Sent 26 Oct 2026, 12:23:28 UTC
Report deadline 31 Oct 2026, 12:23:28 UTC
Received 26 Oct 2026, 12:46:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 18 min 31 sec
CPU time 17 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.72 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:27:40 (2588): wrapper (7.9.26016): starting
13:27:40 (2588): 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
13:27:41 (2588): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:27:41 (2588): 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 'G:\BOINC\DATA\slots\8\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 'G:\BOINC\DATA\slots\8\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
13:45:25 (2588): C:/Windows/system32/cmd.exe exited; CPU time 1047.062500
13:45:25 (2588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 15853645 bytes.
Dumping objects ->
{3835187} normal block at 0x000001A543D375D0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x000001A545A11730, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x000001A545A106B0, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x000001A545A10E90, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x000001A545A10950, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x000001A543D37560, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000001A543D2E300, 8 bytes long.
 Data: <   D&#165;   > 00 00 11 44 A5 01 00 00 
{3833951} normal block at 0x000001A543D2E670, 8 bytes long.
 Data: <&#224;T&#211;C&#165;   > E0 54 D3 43 A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001A543D32440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A543D1CE60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001A543D36220, 16 bytes long.
 Data: < m&#211;C&#165;           > 88 6D D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A543D36950, 16 bytes long.
 Data: <`m&#211;C&#165;           > 60 6D D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A543D30610, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001A543D36180, 16 bytes long.
 Data: <8m&#211;C&#165;           > 38 6D D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A543D369F0, 16 bytes long.
 Data: < m&#211;C&#165;           > 10 6D D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A543D36130, 16 bytes long.
 Data: <&#232;l&#211;C&#165;           > E8 6C D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A543D362C0, 16 bytes long.
 Data: <&#192;l&#211;C&#165;           > C0 6C D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A543D37250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001A543D36590, 16 bytes long.
 Data: <8&#249;&#210;C&#165;           > 38 F9 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A543D2FBF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001A543D35AA0, 16 bytes long.
 Data: < &#249;&#210;C&#165;           > 10 F9 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A543D364F0, 16 bytes long.
 Data: <&#232;&#248;&#210;C&#165;           > E8 F8 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A543D35CD0, 16 bytes long.
 Data: <&#192;&#248;&#210;C&#165;           > C0 F8 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A543D36720, 16 bytes long.
 Data: < &#248;&#210;C&#165;           > 98 F8 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A543D36540, 16 bytes long.
 Data: <p&#248;&#210;C&#165;           > 70 F8 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A543D35D20, 16 bytes long.
 Data: <H&#248;&#210;C&#165;           > 48 F8 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A543D300D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001A543D35C80, 16 bytes long.
 Data: < &#248;&#210;C&#165;           > 20 F8 D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A543D2F820, 320 bytes long.
 Data: < \&#211;C&#165;   &#208; &#211;C&#165;   > 80 5C D3 43 A5 01 00 00 D0 00 D3 43 A5 01 00 00 
{271} normal block at 0x000001A543D36900, 16 bytes long.
 Data: <&#160;l&#211;C&#165;           > A0 6C D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A543D36270, 16 bytes long.
 Data: <xl&#211;C&#165;           > 78 6C D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A543D30850, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001A543D35F50, 16 bytes long.
 Data: <Pl&#211;C&#165;           > 50 6C D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A543D30070, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001A543D365E0, 16 bytes long.
 Data: < k&#211;C&#165;           > 98 6B D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A543D36400, 16 bytes long.
 Data: <pk&#211;C&#165;           > 70 6B D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A543D36310, 16 bytes long.
 Data: <Hk&#211;C&#165;           > 48 6B D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A543D35F00, 16 bytes long.
 Data: < k&#211;C&#165;           > 20 6B D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A543D35C30, 16 bytes long.
 Data: <&#248;j&#211;C&#165;           > F8 6A D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A543D35EB0, 16 bytes long.
 Data: <&#208;j&#211;C&#165;           > D0 6A D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A543D364A0, 16 bytes long.
 Data: < &#154;&#210;C&#165;           > 90 9A D2 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A543D29A90, 40 bytes long.
 Data: <&#160;d&#211;C&#165;   `u&#211;C&#165;   > A0 64 D3 43 A5 01 00 00 60 75 D3 43 A5 01 00 00 
{257} normal block at 0x000001A543D36450, 16 bytes long.
 Data: <&#176;j&#211;C&#165;           > B0 6A D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A543D35E60, 16 bytes long.
 Data: < j&#211;C&#165;           > 88 6A D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A543D304F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001A543D36810, 16 bytes long.
 Data: <`j&#211;C&#165;           > 60 6A D3 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A543D36A60, 992 bytes long.
 Data: < h&#211;C&#165;   &#240; &#211;C&#165;   > 10 68 D3 43 A5 01 00 00 F0 04 D3 43 A5 01 00 00 
{89} normal block at 0x000001A543D30790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001A543D2E2B0, 16 bytes long.
 Data: <&#224;&#212;&#209;C&#165;           > E0 D4 D1 43 A5 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001A543D1D4E0, 40 bytes long.
 Data: <&#176;&#226;&#210;C&#165;     &#211;C&#165;   > B0 E2 D2 43 A5 01 00 00 90 07 D3 43 A5 01 00 00 
{66} normal block at 0x000001A543D2EEE0, 16 bytes long.
 Data: < &#234;&#135;&#239;&#246;           > 80 EA 87 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A543D2E1C0, 16 bytes long.
 Data: <@&#233;&#135;&#239;&#246;           > 40 E9 87 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A543D2E170, 16 bytes long.
 Data: <&#248;W&#132;&#239;&#246;           > F8 57 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A543D2E8A0, 16 bytes long.
 Data: <&#216;W&#132;&#239;&#246;           > D8 57 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A543D2E710, 16 bytes long.
 Data: <P &#132;&#239;&#246;           > 50 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A543D2E760, 16 bytes long.
 Data: <0 &#132;&#239;&#246;           > 30 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A543D2E620, 16 bytes long.
 Data: <&#224; &#132;&#239;&#246;           > E0 02 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A543D2E800, 16 bytes long.
 Data: <  &#132;&#239;&#246;           > 10 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A543D2E7B0, 16 bytes long.
 Data: <p &#132;&#239;&#246;           > 70 04 84 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A543D2E080, 16 bytes long.
 Data: < &#192;&#130;&#239;&#246;           > 18 C0 82 EF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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