Task 38680138

Name test_922-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9923_0
Workunit 31621876
Created 26 Oct 2026, 22:56:22 UTC
Sent 26 Oct 2026, 22:56:27 UTC
Report deadline 31 Oct 2026, 22:56:27 UTC
Received 26 Oct 2026, 23:25:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 15 sec
CPU time 26 min 47 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 646.17 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:57:39 (3992): wrapper (7.9.26016): starting
23:57:39 (3992): 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
23:57:40 (3992): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:57:40 (3992): 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\2\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\2\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
00:24:52 (3992): C:/Windows/system32/cmd.exe exited; CPU time 1607.734375
00:24:52 (3992): 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: 19878783 bytes.
Dumping objects ->
{3835241} normal block at 0x0000029952D019E0, 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 0x0000029952D00B00, 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 0x0000029952D016D0, 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 0x0000029952D00E80, 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 0x0000029952D00D30, 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 0x0000029952DAC510, 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 0x0000029952D202D0, 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 0x0000029951226F70, 8 bytes long.
 Data: <   Q    > 00 00 20 51 99 02 00 00 
{3834548} normal block at 0x0000029952D20650, 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 0x00000299512273D0, 8 bytes long.
 Data: <&#176;&#230;&#208;R    > B0 E6 D0 52 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000299512320C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029951216300, 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 0x00000299512332E0, 16 bytes long.
 Data: <&#184;A#Q            > B8 41 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029951233240, 16 bytes long.
 Data: < A#Q            > 90 41 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002995122BF50, 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 0x0000029951233790, 16 bytes long.
 Data: <hA#Q            > 68 41 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029951233150, 16 bytes long.
 Data: <@A#Q            > 40 41 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029951233510, 16 bytes long.
 Data: < A#Q            > 18 41 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000299512339C0, 16 bytes long.
 Data: <&#240;@#Q            > F0 40 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002995122E1F0, 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 0x0000029951233B50, 16 bytes long.
 Data: < b!Q            > 98 62 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002995122C8B0, 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 0x0000029951233470, 16 bytes long.
 Data: <pb!Q            > 70 62 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029951233010, 16 bytes long.
 Data: <Hb!Q            > 48 62 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029951233100, 16 bytes long.
 Data: < b!Q            > 20 62 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029951233B00, 16 bytes long.
 Data: <&#248;a!Q            > F8 61 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000299512337E0, 16 bytes long.
 Data: <&#208;a!Q            > D0 61 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029951233970, 16 bytes long.
 Data: <&#168;a!Q            > A8 61 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002995122C370, 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 0x0000029951232ED0, 16 bytes long.
 Data: < a!Q            > 80 61 21 51 99 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029951216180, 320 bytes long.
 Data: <&#208;.#Q    p&#195;"Q    > D0 2E 23 51 99 02 00 00 70 C3 22 51 99 02 00 00 
{271} normal block at 0x00000299512338D0, 16 bytes long.
 Data: <&#208;@#Q            > D0 40 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029951233D80, 16 bytes long.
 Data: <&#168;@#Q            > A8 40 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002995122C430, 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 0x00000299512331F0, 16 bytes long.
 Data: < @#Q            > 80 40 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002995122C6D0, 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 0x0000029951233CE0, 16 bytes long.
 Data: <&#200;?#Q            > C8 3F 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029951233A10, 16 bytes long.
 Data: <&#160;?#Q            > A0 3F 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029951233DD0, 16 bytes long.
 Data: <x?#Q            > 78 3F 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029951233C90, 16 bytes long.
 Data: <P?#Q            > 50 3F 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029951233650, 16 bytes long.
 Data: <(?#Q            > 28 3F 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029951233AB0, 16 bytes long.
 Data: < ?#Q            > 00 3F 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000029951233920, 16 bytes long.
 Data: <&#208;&#226;"Q            > D0 E2 22 51 99 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002995122E2D0, 40 bytes long.
 Data: < 9#Q     &#197;&#218;R    > 20 39 23 51 99 02 00 00 10 C5 DA 52 99 02 00 00 
{257} normal block at 0x00000299512330B0, 16 bytes long.
 Data: <&#224;>#Q            > E0 3E 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000299512335B0, 16 bytes long.
 Data: <&#184;>#Q            > B8 3E 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002995122C610, 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 0x00000299512334C0, 16 bytes long.
 Data: < >#Q            > 90 3E 23 51 99 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000029951233E90, 992 bytes long.
 Data: <&#192;4#Q     &#198;"Q    > C0 34 23 51 99 02 00 00 10 C6 22 51 99 02 00 00 
{89} normal block at 0x000002995122BD70, 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 0x0000029951226F20, 16 bytes long.
 Data: <0&#224;"Q            > 30 E0 22 51 99 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002995122E030, 40 bytes long.
 Data: < o"Q    p&#189;"Q    > 20 6F 22 51 99 02 00 00 70 BD 22 51 99 02 00 00 
{66} normal block at 0x0000029951227380, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029951227330, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029951227290, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029951227010, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000299512276A0, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029951226ED0, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000299512271F0, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029951227BA0, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000029951227740, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000299512271A0, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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