Task 38699316

Name test_153-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3779_0
Workunit 31639727
Created 4 Nov 2026, 0:44:31 UTC
Sent 4 Nov 2026, 0:44:35 UTC
Report deadline 9 Nov 2026, 0:44:35 UTC
Received 4 Nov 2026, 1:48:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652373
Run time 38 min 20 sec
CPU time 35 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 26,730.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.94 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:51:47 (37308): wrapper (7.9.26016): starting
09:51:47 (37308): 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
09:51:48 (37308): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:51:48 (37308): 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\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 'C:\ProgramData\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
10:27:35 (37308): C:/Windows/system32/cmd.exe exited; CPU time 2150.703125
10:27:35 (37308): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 44978157 bytes.
Dumping objects ->
{3835555} normal block at 0x0000029284400920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000029284400ED0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x00000292844013A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x00000292844015D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x00000292844011E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x0000029280A45C80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835467} normal block at 0x0000029280A29780, 8 bytes long.
 Data: <  \     > 00 00 5C 82 92 02 00 00 
{3834045} normal block at 0x0000029280A295F0, 8 bytes long.
 Data: <  W     > E0 18 57 84 92 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000029280A1C580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029280A0F3D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000029280A29910, 16 bytes long.
 Data: < &#203;&#162;             > F8 CB A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029280A298C0, 16 bytes long.
 Data: <&#208;&#203;&#162;             > D0 CB A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029280A26BD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000029280A29A50, 16 bytes long.
 Data: <&#168;&#203;&#162;             > A8 CB A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029280A29190, 16 bytes long.
 Data: < &#203;&#162;             > 80 CB A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029280A29730, 16 bytes long.
 Data: <X&#203;&#162;             > 58 CB A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029280A29140, 16 bytes long.
 Data: <0&#203;&#162;             > 30 CB A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029280A25D20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000029280A29820, 16 bytes long.
 Data: < &#198;&#162;             > 08 C6 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029280A27410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000029280A29690, 16 bytes long.
 Data: < &#197;&#162;             > E0 C5 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029280A290A0, 16 bytes long.
 Data: <&#184;&#197;&#162;             > B8 C5 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029280A28FB0, 16 bytes long.
 Data: < &#197;&#162;             > 90 C5 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029280A295A0, 16 bytes long.
 Data: <h&#197;&#162;             > 68 C5 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029280A292D0, 16 bytes long.
 Data: <@&#197;&#162;             > 40 C5 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029280A28BF0, 16 bytes long.
 Data: < &#197;&#162;             > 18 C5 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029280A27950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000029280A28F60, 16 bytes long.
 Data: < &#196;&#162;             > F0 C4 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029280A2C4F0, 320 bytes long.
 Data: <` &#162;     Py&#162;     > 60 8F A2 80 92 02 00 00 50 79 A2 80 92 02 00 00 
{273} normal block at 0x0000029280A291E0, 16 bytes long.
 Data: < &#203;&#162;             > 10 CB A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029280A29460, 16 bytes long.
 Data: < &#202;&#162;             > E8 CA A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029280A277D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000029280A28EC0, 16 bytes long.
 Data: <&#192;&#202;&#162;             > C0 CA A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029280A26F30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000029280A290F0, 16 bytes long.
 Data: < &#202;&#162;             > 08 CA A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029280A29550, 16 bytes long.
 Data: < &#201;&#162;             > E0 C9 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029280A29500, 16 bytes long.
 Data: <&#184;&#201;&#162;             > B8 C9 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029280A29050, 16 bytes long.
 Data: < &#201;&#162;             > 90 C9 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029280A29230, 16 bytes long.
 Data: <h&#201;&#162;             > 68 C9 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029280A28DD0, 16 bytes long.
 Data: <@&#201;&#162;             > 40 C9 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029280A28F10, 16 bytes long.
 Data: < ]&#162;             > 90 5D A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029280A25D90, 40 bytes long.
 Data: <  &#162;      \&#164;     > 10 8F A2 80 92 02 00 00 80 5C A4 80 92 02 00 00 
{259} normal block at 0x0000029280A28C90, 16 bytes long.
 Data: < &#201;&#162;             > 20 C9 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029280A28D80, 16 bytes long.
 Data: < &#200;&#162;             > F8 C8 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029280A26AB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000029280A297D0, 16 bytes long.
 Data: <&#208;&#200;&#162;             > D0 C8 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000029280A2C8D0, 992 bytes long.
 Data: <&#208; &#162;     &#176;j&#162;     > D0 97 A2 80 92 02 00 00 B0 6A A2 80 92 02 00 00 
{91} normal block at 0x0000029280A27710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000029280A29410, 16 bytes long.
 Data: <&#192;X&#162;             > C0 58 A2 80 92 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000029280A258C0, 40 bytes long.
 Data: <  &#162;      w&#162;     > 10 94 A2 80 92 02 00 00 10 77 A2 80 92 02 00 00 
{66} normal block at 0x0000029280A29000, 16 bytes long.
 Data: <  i.            > 80 EA 69 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029280A21A10, 16 bytes long.
 Data: <@ i.            > 40 E9 69 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029280A21970, 16 bytes long.
 Data: < Wf.            > F8 57 66 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029280A21920, 16 bytes long.
 Data: <&#216;Wf.            > D8 57 66 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029280A216F0, 16 bytes long.
 Data: <P f.            > 50 04 66 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029280A216A0, 16 bytes long.
 Data: <0 f.            > 30 04 66 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029280A21650, 16 bytes long.
 Data: <  f.            > E0 02 66 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029280A21240, 16 bytes long.
 Data: <  f.            > 10 04 66 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029280A21600, 16 bytes long.
 Data: <p f.            > 70 04 66 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000029280A219C0, 16 bytes long.
 Data: < &#192;d.            > 18 C0 64 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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