Task 38682627

Name test_215-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1937_0
Workunit 31624230
Created 27 Oct 2026, 8:26:44 UTC
Sent 27 Oct 2026, 8:26:49 UTC
Report deadline 1 Nov 2026, 8:26:49 UTC
Received 27 Oct 2026, 9:59:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 45 min 42 sec
CPU time 41 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.01 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
10:14:28 (32060): wrapper (7.9.26016): starting
10:14:28 (32060): 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
10:14:30 (32060): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:14:30 (32060): 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:\ProgramData\BOINC\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 'C:\ProgramData\BOINC\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
10:58:39 (32060): C:/Windows/system32/cmd.exe exited; CPU time 2476.656250
10:58:39 (32060): 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: 52049377 bytes.
Dumping objects ->
{3835277} normal block at 0x000001E1770C6E30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001E1770C67A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001E1770C6B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001E1770C6500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001E175427410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001E176FEFF70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835189} normal block at 0x000001E17541C370, 8 bytes long.
 Data: <  =u&#225;   > 00 00 3D 75 E1 01 00 00 
{3833985} normal block at 0x000001E17541C320, 8 bytes long.
 Data: <&#208;&#229;&#239;v&#225;   > D0 E5 EF 76 E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001E175421720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001E175418300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000001E175427B70, 16 bytes long.
 Data: < &#139;Bu&#225;           > 88 8B 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001E175428390, 16 bytes long.
 Data: <`&#139;Bu&#225;           > 60 8B 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001E175423B60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000001E175427990, 16 bytes long.
 Data: <8&#139;Bu&#225;           > 38 8B 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E175427AD0, 16 bytes long.
 Data: < &#139;Bu&#225;           > 10 8B 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001E175427A80, 16 bytes long.
 Data: <&#232;&#138;Bu&#225;           > E8 8A 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001E175427A30, 16 bytes long.
 Data: <&#192;&#138;Bu&#225;           > C0 8A 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E1754274F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000001E175428340, 16 bytes long.
 Data: <&#168;.Bu&#225;           > A8 2E 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E1754237A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000001E175428700, 16 bytes long.
 Data: < .Bu&#225;           > 80 2E 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E175427DF0, 16 bytes long.
 Data: <X.Bu&#225;           > 58 2E 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E1754282F0, 16 bytes long.
 Data: <0.Bu&#225;           > 30 2E 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E1754287A0, 16 bytes long.
 Data: < .Bu&#225;           > 08 2E 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E175428070, 16 bytes long.
 Data: <&#224;-Bu&#225;           > E0 2D 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E1754286B0, 16 bytes long.
 Data: <&#184;-Bu&#225;           > B8 2D 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E175423380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000001E1754283E0, 16 bytes long.
 Data: < -Bu&#225;           > 90 2D 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E175422D90, 320 bytes long.
 Data: <&#224;&#131;Bu&#225;    3Bu&#225;   > E0 83 42 75 E1 01 00 00 80 33 42 75 E1 01 00 00 
{288} normal block at 0x000001E1754279E0, 16 bytes long.
 Data: <&#160;&#138;Bu&#225;           > A0 8A 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E1754282A0, 16 bytes long.
 Data: <x&#138;Bu&#225;           > 78 8A 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E175423A40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000001E175427FD0, 16 bytes long.
 Data: <P&#138;Bu&#225;           > 50 8A 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E175423980, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000001E175428160, 16 bytes long.
 Data: < &#137;Bu&#225;           > 98 89 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E175428020, 16 bytes long.
 Data: <p&#137;Bu&#225;           > 70 89 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E175427D50, 16 bytes long.
 Data: <H&#137;Bu&#225;           > 48 89 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E175428250, 16 bytes long.
 Data: < &#137;Bu&#225;           > 20 89 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E175428110, 16 bytes long.
 Data: <&#248; Bu&#225;           > F8 88 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E175428660, 16 bytes long.
 Data: <&#208; Bu&#225;           > D0 88 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E175427940, 16 bytes long.
 Data: <`uBu&#225;           > 60 75 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E175427560, 40 bytes long.
 Data: <@yBu&#225;   p&#255;&#254;v&#225;   > 40 79 42 75 E1 01 00 00 70 FF FE 76 E1 01 00 00 
{274} normal block at 0x000001E175428200, 16 bytes long.
 Data: <&#176; Bu&#225;           > B0 88 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E175427F30, 16 bytes long.
 Data: <  Bu&#225;           > 88 88 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E175423E60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000001E175427DA0, 16 bytes long.
 Data: <` Bu&#225;           > 60 88 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E175428860, 992 bytes long.
 Data: <&#160;}Bu&#225;   `>Bu&#225;   > A0 7D 42 75 E1 01 00 00 60 3E 42 75 E1 01 00 00 
{106} normal block at 0x000001E175423740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000001E17541C870, 16 bytes long.
 Data: <PrBu&#225;           > 50 72 42 75 E1 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001E175427250, 40 bytes long.
 Data: <p&#200;Au&#225;   @7Bu&#225;   > 70 C8 41 75 E1 01 00 00 40 37 42 75 E1 01 00 00 
{83} normal block at 0x000001E17541BEC0, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001E17541C190, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001E17541C8C0, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001E17541CA50, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001E17541C1E0, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001E17541C910, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E17541BCE0, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E17541C820, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001E17541C500, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E17541C280, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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