Task 38668057

Name test_965-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8551_0
Workunit 31610620
Created 25 Oct 2026, 10:30:54 UTC
Sent 25 Oct 2026, 10:30:58 UTC
Report deadline 30 Oct 2026, 10:30:58 UTC
Received 25 Oct 2026, 12:32:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654625
Run time 30 min
CPU time 27 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,553.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.92 MB
Peak swap size 9.93 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:03:52 (12192): wrapper (7.9.26016): starting
12:03:52 (12192): 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
12:03:53 (12192): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:03:53 (12192): 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:\Applications\BOINC\slots\9\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:\Applications\BOINC\slots\9\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
12:32:14 (12192): C:/Windows/system32/cmd.exe exited; CPU time 1661.875000
12:32:14 (12192): 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: 33341471 bytes.
Dumping objects ->
{3835581} normal block at 0x00000247902D58A0, 48 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835570} normal block at 0x00000247902D5360, 48 bytes long.
 Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835559} normal block at 0x00000247902D5830, 48 bytes long.
 Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69 
{3835548} normal block at 0x00000247902D5980, 48 bytes long.
 Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835537} normal block at 0x00000247902D5A60, 48 bytes long.
 Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63 
{3835506} normal block at 0x000002479210CE60, 64 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x00000247902D09E0, 8 bytes long.
 Data: <  &#228;&#145;G   > 00 00 E4 91 47 02 00 00 
{3833963} normal block at 0x00000247902D0170, 8 bytes long.
 Data: <&#160;&#181;/ G   > A0 B5 2F 90 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000247902D1F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000247902C6C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000247902D6010, 16 bytes long.
 Data: <Xr- G           > 58 72 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000247902D6D80, 16 bytes long.
 Data: <0r- G           > 30 72 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000247902CEC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000247902D6560, 16 bytes long.
 Data: < r- G           > 08 72 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000247902D6970, 16 bytes long.
 Data: <&#224;q- G           > E0 71 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000247902D6EC0, 16 bytes long.
 Data: <&#184;q- G           > B8 71 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000247902D67E0, 16 bytes long.
 Data: < q- G           > 90 71 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000247902D59F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000247902D65B0, 16 bytes long.
 Data: < &#190;+ G           > 08 BE 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000247902CE800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000247902D6510, 16 bytes long.
 Data: <&#224;&#189;+ G           > E0 BD 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000247902D6240, 16 bytes long.
 Data: <&#184;&#189;+ G           > B8 BD 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000247902D6D30, 16 bytes long.
 Data: < &#189;+ G           > 90 BD 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000247902D6CE0, 16 bytes long.
 Data: <h&#189;+ G           > 68 BD 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000247902D66F0, 16 bytes long.
 Data: <@&#189;+ G           > 40 BD 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000247902D6BF0, 16 bytes long.
 Data: < &#189;+ G           > 18 BD 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000247902CE3E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000247902D6B50, 16 bytes long.
 Data: <&#240;&#188;+ G           > F0 BC 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000247902BBCF0, 320 bytes long.
 Data: <Pk- G   &#224;&#227;, G   > 50 6B 2D 90 47 02 00 00 E0 E3 2C 90 47 02 00 00 
{277} normal block at 0x00000247902D5FC0, 16 bytes long.
 Data: <pq- G           > 70 71 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000247902D6E70, 16 bytes long.
 Data: <Hq- G           > 48 71 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000247902CE320, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000247902D6DD0, 16 bytes long.
 Data: < q- G           > 20 71 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000247902CE380, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000247902D6E20, 16 bytes long.
 Data: <hp- G           > 68 70 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000247902D6330, 16 bytes long.
 Data: <@p- G           > 40 70 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000247902D6C90, 16 bytes long.
 Data: < p- G           > 18 70 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000247902D6380, 16 bytes long.
 Data: <&#240;o- G           > F0 6F 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000247902D64C0, 16 bytes long.
 Data: <&#200;o- G           > C8 6F 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000247902D6BA0, 16 bytes long.
 Data: <&#160;o- G           > A0 6F 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000247902D5F70, 16 bytes long.
 Data: <PW- G           > 50 57 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000247902D5750, 40 bytes long.
 Data: <p_- G   `&#206; &#146;G   > 70 5F 2D 90 47 02 00 00 60 CE 10 92 47 02 00 00 
{263} normal block at 0x00000247902D6470, 16 bytes long.
 Data: < o- G           > 80 6F 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000247902D6AB0, 16 bytes long.
 Data: <Xo- G           > 58 6F 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000247902CE620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000247902D66A0, 16 bytes long.
 Data: <0o- G           > 30 6F 2D 90 47 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000247902D6F30, 992 bytes long.
 Data: <&#160;f- G    &#230;, G   > A0 66 2D 90 47 02 00 00 20 E6 2C 90 47 02 00 00 
{95} normal block at 0x00000247902CE9E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000247902CFEA0, 16 bytes long.
 Data: < &#250;+ G           > 90 FA 2B 90 47 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000247902BFA90, 40 bytes long.
 Data: <&#160;&#254;, G   &#224;&#233;, G   > A0 FE 2C 90 47 02 00 00 E0 E9 2C 90 47 02 00 00 
{72} normal block at 0x00000247902D0530, 16 bytes long.
 Data: < &#234;QB&#246;           > 80 EA 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000247902D0760, 16 bytes long.
 Data: <@&#233;QB&#246;           > 40 E9 51 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000247902D0120, 16 bytes long.
 Data: <&#248;WNB&#246;           > F8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000247902D0030, 16 bytes long.
 Data: <&#216;WNB&#246;           > D8 57 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000247902D0210, 16 bytes long.
 Data: <P NB&#246;           > 50 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000247902D00D0, 16 bytes long.
 Data: <0 NB&#246;           > 30 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000247902CFDB0, 16 bytes long.
 Data: <&#224; NB&#246;           > E0 02 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000247902CFFE0, 16 bytes long.
 Data: <  NB&#246;           > 10 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000247902D04E0, 16 bytes long.
 Data: <p NB&#246;           > 70 04 4E 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000247902D0350, 16 bytes long.
 Data: < &#192;LB&#246;           > 18 C0 4C 42 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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