Task 38681591

Name test_450-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3840_0
Workunit 31623252
Created 27 Oct 2026, 4:33:00 UTC
Sent 27 Oct 2026, 4:33:15 UTC
Report deadline 1 Nov 2026, 4:33:15 UTC
Received 27 Oct 2026, 22:50:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 4 sec
CPU time 26 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 672.39 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:22:20 (4912): wrapper (7.9.26016): starting
23:22:20 (4912): 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
23:22:21 (4912): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:22:21 (4912): 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:\BOINC\ProgramData\slots\1\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:\BOINC\ProgramData\slots\1\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
23:49:23 (4912): C:/Windows/system32/cmd.exe exited; CPU time 1595.890625
23:49:23 (4912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19602067 bytes.
Dumping objects ->
{3835241} normal block at 0x0000021084A31040, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x0000021084A31580, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x0000021084A30F60, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x0000021084A30EF0, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x0000021084A31890, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x0000021084BE4260, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x0000021084B11110, 160 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) : {3835152} normal block at 0x0000021083068820, 8 bytes long.
 Data: <  &#164;&#132;    > 00 00 A4 84 10 02 00 00 
{3834548} normal block at 0x0000021084B10BD0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000021083068780, 8 bytes long.
 Data: < &#204;&#191;&#132;    > 20 CC BF 84 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000021083072F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002108305B240, 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 0x0000021083074EF0, 16 bytes long.
 Data: < R &#131;            > 88 52 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021083073FA0, 16 bytes long.
 Data: <`R &#131;            > 60 52 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002108306CF20, 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 0x0000021083074EA0, 16 bytes long.
 Data: <8R &#131;            > 38 52 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021083074E50, 16 bytes long.
 Data: < R &#131;            > 10 52 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021083074E00, 16 bytes long.
 Data: <&#232;Q &#131;            > E8 51 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021083074950, 16 bytes long.
 Data: <&#192;Q &#131;            > C0 51 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002108306E9F0, 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 0x0000021083074DB0, 16 bytes long.
 Data: < b &#131;            > 98 62 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002108306D220, 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 0x0000021083074C20, 16 bytes long.
 Data: <pb &#131;            > 70 62 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021083074BD0, 16 bytes long.
 Data: <Hb &#131;            > 48 62 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021083074400, 16 bytes long.
 Data: < b &#131;            > 20 62 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021083074900, 16 bytes long.
 Data: <&#248;a &#131;            > F8 61 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000210830743B0, 16 bytes long.
 Data: <&#208;a &#131;            > D0 61 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000210830747C0, 16 bytes long.
 Data: <&#168;a &#131;            > A8 61 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002108306CBC0, 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 0x0000021083074D10, 16 bytes long.
 Data: < a &#131;            > 80 61 05 83 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021083056180, 320 bytes long.
 Data: < M &#131;    &#192;&#203; &#131;    > 10 4D 07 83 10 02 00 00 C0 CB 06 83 10 02 00 00 
{271} normal block at 0x00000210830741D0, 16 bytes long.
 Data: <&#160;Q &#131;            > A0 51 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021083074B80, 16 bytes long.
 Data: <xQ &#131;            > 78 51 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002108306D160, 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 0x0000021083074D60, 16 bytes long.
 Data: <PQ &#131;            > 50 51 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002108306C980, 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 0x0000021083074A40, 16 bytes long.
 Data: < P &#131;            > 98 50 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000210830742C0, 16 bytes long.
 Data: <pP &#131;            > 70 50 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021083074B30, 16 bytes long.
 Data: <HP &#131;            > 48 50 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021083074770, 16 bytes long.
 Data: < P &#131;            > 20 50 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021083074860, 16 bytes long.
 Data: <&#248;O &#131;            > F8 4F 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000210830746D0, 16 bytes long.
 Data: <&#208;O &#131;            > D0 4F 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021083074040, 16 bytes long.
 Data: < &#236; &#131;            > 90 EC 06 83 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002108306EC90, 40 bytes long.
 Data: <@@ &#131;    `B&#190;&#132;    > 40 40 07 83 10 02 00 00 60 42 BE 84 10 02 00 00 
{257} normal block at 0x0000021083074680, 16 bytes long.
 Data: <&#176;O &#131;            > B0 4F 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000210830744F0, 16 bytes long.
 Data: < O &#131;            > 88 4F 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002108306CD40, 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 0x00000210830749F0, 16 bytes long.
 Data: <`O &#131;            > 60 4F 07 83 10 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021083074F60, 992 bytes long.
 Data: <&#240;I &#131;    @&#205; &#131;    > F0 49 07 83 10 02 00 00 40 CD 06 83 10 02 00 00 
{89} normal block at 0x000002108306D580, 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 0x0000021083067F10, 16 bytes long.
 Data: <&#192;&#238; &#131;            > C0 EE 06 83 10 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002108306EEC0, 40 bytes long.
 Data: <   &#131;     &#213; &#131;    > 10 7F 06 83 10 02 00 00 80 D5 06 83 10 02 00 00 
{66} normal block at 0x00000210830687D0, 16 bytes long.
 Data: < &#234; !&#247;           > 80 EA 07 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021083068730, 16 bytes long.
 Data: <@&#233; !&#247;           > 40 E9 07 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000210830688C0, 16 bytes long.
 Data: <&#248;W !&#247;           > F8 57 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021083068000, 16 bytes long.
 Data: <&#216;W !&#247;           > D8 57 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021083067F60, 16 bytes long.
 Data: <P  !&#247;           > 50 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021083068280, 16 bytes long.
 Data: <0  !&#247;           > 30 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000210830686E0, 16 bytes long.
 Data: <&#224;  !&#247;           > E0 02 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021083068870, 16 bytes long.
 Data: <   !&#247;           > 10 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021083067DD0, 16 bytes long.
 Data: <p  !&#247;           > 70 04 04 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021083067B00, 16 bytes long.
 Data: < &#192; !&#247;           > 18 C0 02 21 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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