Task 38658379

Name test_376-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND0468_0
Workunit 31601965
Created 24 Oct 2026, 12:36:52 UTC
Sent 24 Oct 2026, 12:45:29 UTC
Report deadline 29 Oct 2026, 12:45:29 UTC
Received 24 Oct 2026, 13:44:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637827
Run time 45 min 30 sec
CPU time 43 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.53 MB
Peak swap size 5.27 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:58:35 (16732): wrapper (7.9.26016): starting
15:58:35 (16732): 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
15:58:36 (16732): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:58:36 (16732): 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:\BOINC_Projects\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 'D:\BOINC_Projects\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
16:43:26 (16732): C:/Windows/system32/cmd.exe exited; CPU time 2628.984375
16:43:26 (16732): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 47545105 bytes.
Dumping objects ->
{3835241} normal block at 0x000001585C8788C0, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835230} normal block at 0x000001585E3F66F0, 32 bytes long.
 Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835219} normal block at 0x000001585E3F69F0, 32 bytes long.
 Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F 
{3835208} normal block at 0x000001585E3F64B0, 32 bytes long.
 Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
{3835197} normal block at 0x000001585C878EE0, 48 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835166} normal block at 0x000001585C8789A0, 48 bytes long.
 Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 
..\api\boinc_api.cpp(309) : {3835153} normal block at 0x000001585C848080, 8 bytes long.
 Data: <  ~\X   > 00 00 7E 5C 58 01 00 00 
{3833953} normal block at 0x000001585C8480D0, 8 bytes long.
 Data: <&#208;B@^X   > D0 42 40 5E 58 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001585C853E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001585C83B160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001585C855510, 16 bytes long.
 Data: < _&#133;\X           > 88 5F 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001585C855100, 16 bytes long.
 Data: <`_&#133;\X           > 60 5F 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001585C84CAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001585C8550B0, 16 bytes long.
 Data: <8_&#133;\X           > 38 5F 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001585C855060, 16 bytes long.
 Data: < _&#133;\X           > 10 5F 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001585C855BA0, 16 bytes long.
 Data: <&#232;^&#133;\X           > E8 5E 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001585C8554C0, 16 bytes long.
 Data: <&#192;^&#133;\X           > C0 5E 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001585C84EB50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001585C854F70, 16 bytes long.
 Data: < b&#131;\X           > 18 62 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001585C84CF80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001585C854FC0, 16 bytes long.
 Data: <&#240;a&#131;\X           > F0 61 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001585C855010, 16 bytes long.
 Data: <&#200;a&#131;\X           > C8 61 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001585C855B00, 16 bytes long.
 Data: <&#160;a&#131;\X           > A0 61 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001585C854ED0, 16 bytes long.
 Data: <xa&#131;\X           > 78 61 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001585C855830, 16 bytes long.
 Data: <Pa&#131;\X           > 50 61 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001585C8557E0, 16 bytes long.
 Data: <(a&#131;\X           > 28 61 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001585C84D3A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001585C855330, 16 bytes long.
 Data: < a&#131;\X           > 00 61 83 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001585C836100, 320 bytes long.
 Data: <0S&#133;\X   &#160;&#211;&#132;\X   > 30 53 85 5C 58 01 00 00 A0 D3 84 5C 58 01 00 00 
{272} normal block at 0x000001585C855AB0, 16 bytes long.
 Data: <&#160;^&#133;\X           > A0 5E 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001585C854E80, 16 bytes long.
 Data: <x^&#133;\X           > 78 5E 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001585C84CF20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001585C8553D0, 16 bytes long.
 Data: <P^&#133;\X           > 50 5E 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001585C84CA40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001585C854CA0, 16 bytes long.
 Data: < ]&#133;\X           > 98 5D 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001585C855A10, 16 bytes long.
 Data: <p]&#133;\X           > 70 5D 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001585C8559C0, 16 bytes long.
 Data: <H]&#133;\X           > 48 5D 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001585C855B50, 16 bytes long.
 Data: < ]&#133;\X           > 20 5D 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001585C855BF0, 16 bytes long.
 Data: <&#248;\&#133;\X           > F8 5C 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001585C855920, 16 bytes long.
 Data: <&#208;\&#133;\X           > D0 5C 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001585C855790, 16 bytes long.
 Data: <p&#234;&#132;\X           > 70 EA 84 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001585C84EA70, 40 bytes long.
 Data: <&#144;W&#133;\X   &#160;&#137;&#135;\X   > 90 57 85 5C 58 01 00 00 A0 89 87 5C 58 01 00 00 
{258} normal block at 0x000001585C855740, 16 bytes long.
 Data: <&#176;\&#133;\X           > B0 5C 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001585C854DE0, 16 bytes long.
 Data: < \&#133;\X           > 88 5C 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001585C84C9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001585C854D90, 16 bytes long.
 Data: <`\&#133;\X           > 60 5C 85 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001585C855C60, 992 bytes long.
 Data: <&#144;M&#133;\X   &#224;&#201;&#132;\X   > 90 4D 85 5C 58 01 00 00 E0 C9 84 5C 58 01 00 00 
{90} normal block at 0x000001585C84D040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001585C848850, 16 bytes long.
 Data: < &#237;&#132;\X           > 10 ED 84 5C 58 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001585C84ED10, 40 bytes long.
 Data: <P &#132;\X   @&#208;&#132;\X   > 50 88 84 5C 58 01 00 00 40 D0 84 5C 58 01 00 00 
{67} normal block at 0x000001585C848710, 16 bytes long.
 Data: <&#128;&#234;&#149;e&#247;           > 80 EA 95 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001585C848300, 16 bytes long.
 Data: <@&#233;&#149;e&#247;           > 40 E9 95 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001585C847EA0, 16 bytes long.
 Data: <&#248;W&#146;e&#247;           > F8 57 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001585C847E50, 16 bytes long.
 Data: <&#216;W&#146;e&#247;           > D8 57 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001585C848490, 16 bytes long.
 Data: <P &#146;e&#247;           > 50 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001585C847BD0, 16 bytes long.
 Data: <0 &#146;e&#247;           > 30 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001585C847FE0, 16 bytes long.
 Data: <&#224; &#146;e&#247;           > E0 02 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001585C848940, 16 bytes long.
 Data: <  &#146;e&#247;           > 10 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001585C848440, 16 bytes long.
 Data: <p &#146;e&#247;           > 70 04 92 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001585C847DB0, 16 bytes long.
 Data: < &#192;&#144;e&#247;           > 18 C0 90 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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