Task 38677588

Name test_383-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2067_1
Workunit 31619392
Created 26 Oct 2026, 14:46:19 UTC
Sent 26 Oct 2026, 14:46:23 UTC
Report deadline 31 Oct 2026, 14:46:23 UTC
Received 26 Oct 2026, 15:42:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 541192
Run time 31 min 35 sec
CPU time 29 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.70 MB
Peak swap size 13.04 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:12:25 (40128): wrapper (7.9.26016): starting
16:12:25 (40128): 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
16:12:27 (40128): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:12:27 (40128): 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 'J:\BOINC\data\slots\11\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 'J:\BOINC\data\slots\11\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
16:42:02 (40128): C:/Windows/system32/cmd.exe exited; CPU time 1768.656250
16:42:02 (40128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 37157544 bytes.
Dumping objects ->
{3835586} normal block at 0x00000207DA3D6050, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835575} normal block at 0x00000207DC283060, 32 bytes long.
 Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835564} normal block at 0x00000207DC283540, 32 bytes long.
 Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835553} normal block at 0x00000207DC2824C0, 32 bytes long.
 Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835542} normal block at 0x00000207DC282BE0, 32 bytes long.
 Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C 
{3835511} normal block at 0x00000207DA3D5C60, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835500} normal block at 0x00000207DC24F290, 85 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) : {3835497} normal block at 0x00000207DA3CBBC0, 8 bytes long.
 Data: <   &#220;    > 00 00 07 DC 07 02 00 00 
{3834717} normal block at 0x00000207DC24DC10, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833991} normal block at 0x00000207DA3CB850, 8 bytes long.
 Data: <p&#235; &#220;    > 70 EB 06 DC 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {327} normal block at 0x00000207DA3D23E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000207DA3C5DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{311} normal block at 0x00000207DA3D6EC0, 16 bytes long.
 Data: <xz=&#218;            > 78 7A 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000207DA3D7320, 16 bytes long.
 Data: <Pz=&#218;            > 50 7A 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000207DA3CF680, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{308} normal block at 0x00000207DA3D6A60, 16 bytes long.
 Data: <(z=&#218;            > 28 7A 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000207DA3D7190, 16 bytes long.
 Data: < z=&#218;            > 00 7A 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000207DA3D6E70, 16 bytes long.
 Data: <&#216;y=&#218;            > D8 79 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000207DA3D6DD0, 16 bytes long.
 Data: <&#176;y=&#218;            > B0 79 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000207DA3D5BF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{303} normal block at 0x00000207DA3D69C0, 16 bytes long.
 Data: < &#254;;&#218;            > 08 FE 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000207DA3CF2C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{301} normal block at 0x00000207DA3D74B0, 16 bytes long.
 Data: <&#224;&#253;;&#218;            > E0 FD 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000207DA3D6D80, 16 bytes long.
 Data: <&#184;&#253;;&#218;            > B8 FD 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000207DA3D6E20, 16 bytes long.
 Data: < &#253;;&#218;            > 90 FD 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000207DA3D68D0, 16 bytes long.
 Data: <h&#253;;&#218;            > 68 FD 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000207DA3D6D30, 16 bytes long.
 Data: <@&#253;;&#218;            > 40 FD 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000207DA3D7140, 16 bytes long.
 Data: < &#253;;&#218;            > 18 FD 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000207DA3CF620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{293} normal block at 0x00000207DA3D67E0, 16 bytes long.
 Data: <&#240;&#252;;&#218;            > F0 FC 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000207DA3BFCF0, 320 bytes long.
 Data: <&#224;g=&#218;     &#246;<&#218;    > E0 67 3D DA 07 02 00 00 20 F6 3C DA 07 02 00 00 
{291} normal block at 0x00000207DA3D7460, 16 bytes long.
 Data: < y=&#218;            > 90 79 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000207DA3D6CE0, 16 bytes long.
 Data: <hy=&#218;            > 68 79 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000207DA3CF5C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{288} normal block at 0x00000207DA3D7550, 16 bytes long.
 Data: <@y=&#218;            > 40 79 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000207DA3CF1A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{286} normal block at 0x00000207DA3D6F60, 16 bytes long.
 Data: < x=&#218;            > 88 78 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000207DA3D7690, 16 bytes long.
 Data: <`x=&#218;            > 60 78 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000207DA3D6790, 16 bytes long.
 Data: <8x=&#218;            > 38 78 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000207DA3D6C40, 16 bytes long.
 Data: < x=&#218;            > 10 78 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000207DA3D6A10, 16 bytes long.
 Data: <&#232;w=&#218;            > E8 77 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000207DA3D70A0, 16 bytes long.
 Data: <&#192;w=&#218;            > C0 77 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000207DA3D6BA0, 16 bytes long.
 Data: < [=&#218;            > 80 5B 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000207DA3D5B80, 40 bytes long.
 Data: <&#160;k=&#218;    `\=&#218;    > A0 6B 3D DA 07 02 00 00 60 5C 3D DA 07 02 00 00 
{277} normal block at 0x00000207DA3D70F0, 16 bytes long.
 Data: <&#160;w=&#218;            > A0 77 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000207DA3D6920, 16 bytes long.
 Data: <xw=&#218;            > 78 77 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000207DA3CF560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{274} normal block at 0x00000207DA3D6BF0, 16 bytes long.
 Data: <Pw=&#218;            > 50 77 3D DA 07 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000207DA3D7750, 992 bytes long.
 Data: <&#240;k=&#218;    `&#245;<&#218;    > F0 6B 3D DA 07 02 00 00 60 F5 3C DA 07 02 00 00 
{109} normal block at 0x00000207DA3CF4A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{108} normal block at 0x00000207DA3CB530, 16 bytes long.
 Data: < &#250;;&#218;            > 00 FA 3B DA 07 02 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x00000207DA3BFA00, 40 bytes long.
 Data: <0&#181;<&#218;    &#160;&#244;<&#218;    > 30 B5 3C DA 07 02 00 00 A0 F4 3C DA 07 02 00 00 
{86} normal block at 0x00000207DA3CB4E0, 16 bytes long.
 Data: < &#234; &#161;&#247;           > 80 EA 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000207DA3CBA30, 16 bytes long.
 Data: <@&#233; &#161;&#247;           > 40 E9 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000207DA3CB260, 16 bytes long.
 Data: <&#248;W&#138;&#161;&#247;           > F8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000207DA3CB0D0, 16 bytes long.
 Data: <&#216;W&#138;&#161;&#247;           > D8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000207DA3CB7B0, 16 bytes long.
 Data: <P &#138;&#161;&#247;           > 50 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000207DA3CB440, 16 bytes long.
 Data: <0 &#138;&#161;&#247;           > 30 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000207DA3CB490, 16 bytes long.
 Data: <&#224; &#138;&#161;&#247;           > E0 02 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000207DA3CAF40, 16 bytes long.
 Data: <  &#138;&#161;&#247;           > 10 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000207DA3CB080, 16 bytes long.
 Data: <p &#138;&#161;&#247;           > 70 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000207DA3CB030, 16 bytes long.
 Data: < &#192; &#161;&#247;           > 18 C0 88 A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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