Task 38672077

Name test_631-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0730_0
Workunit 31614250
Created 25 Oct 2026, 22:23:51 UTC
Sent 25 Oct 2026, 22:23:53 UTC
Report deadline 30 Oct 2026, 22:23:53 UTC
Received 25 Oct 2026, 22:54:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 30 min 2 sec
CPU time 28 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.80 MB
Peak swap size 6.89 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
23:25:04 (8592): wrapper (7.9.26016): starting
23:25:04 (8592): 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
23:25:05 (8592): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:25:05 (8592): 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\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 'C:\ProgramData\BOINC\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
23:54:05 (8592): C:/Windows/system32/cmd.exe exited; CPU time 1714.031250
23:54:05 (8592): 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: 34296907 bytes.
Dumping objects ->
{3835262} normal block at 0x00000278C279BAE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x00000278C279C100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000278C279C410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x00000278C279BA70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000278C279BCA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x00000278C446E250, 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) : {3835174} normal block at 0x00000278C27703E0, 8 bytes long.
 Data: <  &#187;&#194;x   > 00 00 BB C2 78 02 00 00 
{3833967} normal block at 0x00000278C2770610, 8 bytes long.
 Data: <P&#235;&#132;&#194;x   > 50 EB 84 C2 78 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000278C275FF70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000278C2769D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000278C27788C0, 16 bytes long.
 Data: <8/w&#194;x           > 38 2F 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000278C2778EB0, 16 bytes long.
 Data: < /w&#194;x           > 10 2F 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000278C2773DD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000278C2778D70, 16 bytes long.
 Data: <&#232;.w&#194;x           > E8 2E 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000278C27787D0, 16 bytes long.
 Data: <&#192;.w&#194;x           > C0 2E 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000278C2778460, 16 bytes long.
 Data: < .w&#194;x           > 98 2E 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000278C27782D0, 16 bytes long.
 Data: <p.w&#194;x           > 70 2E 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000278C2772760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000278C27783C0, 16 bytes long.
 Data: <&#216;&#198;u&#194;x           > D8 C6 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000278C2773C50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000278C2778B90, 16 bytes long.
 Data: <&#176;&#198;u&#194;x           > B0 C6 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000278C2778C30, 16 bytes long.
 Data: < &#198;u&#194;x           > 88 C6 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000278C2778960, 16 bytes long.
 Data: <`&#198;u&#194;x           > 60 C6 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000278C2778640, 16 bytes long.
 Data: <8&#198;u&#194;x           > 38 C6 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000278C2778870, 16 bytes long.
 Data: < &#198;u&#194;x           > 10 C6 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000278C2778230, 16 bytes long.
 Data: <&#232;&#197;u&#194;x           > E8 C5 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000278C2774010, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000278C2778370, 16 bytes long.
 Data: <&#192;&#197;u&#194;x           > C0 C5 75 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000278C275C5C0, 320 bytes long.
 Data: <p&#131;w&#194;x    @w&#194;x   > 70 83 77 C2 78 02 00 00 10 40 77 C2 78 02 00 00 
{279} normal block at 0x00000278C2778780, 16 bytes long.
 Data: <P.w&#194;x           > 50 2E 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000278C2778F00, 16 bytes long.
 Data: <(.w&#194;x           > 28 2E 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000278C2773D70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000278C2778B40, 16 bytes long.
 Data: < .w&#194;x           > 00 2E 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000278C2774250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000278C27781E0, 16 bytes long.
 Data: <H-w&#194;x           > 48 2D 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000278C27780A0, 16 bytes long.
 Data: < -w&#194;x           > 20 2D 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000278C2778730, 16 bytes long.
 Data: <&#248;,w&#194;x           > F8 2C 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000278C2778AF0, 16 bytes long.
 Data: <&#208;,w&#194;x           > D0 2C 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000278C2778AA0, 16 bytes long.
 Data: <&#168;,w&#194;x           > A8 2C 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000278C27785F0, 16 bytes long.
 Data: < ,w&#194;x           > 80 2C 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000278C2778500, 16 bytes long.
 Data: <@(w&#194;x           > 40 28 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000278C2772840, 40 bytes long.
 Data: < &#133;w&#194;x   P&#226;F&#196;x   > 00 85 77 C2 78 02 00 00 50 E2 46 C4 78 02 00 00 
{265} normal block at 0x00000278C2778820, 16 bytes long.
 Data: <`,w&#194;x           > 60 2C 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000278C27784B0, 16 bytes long.
 Data: <8,w&#194;x           > 38 2C 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000278C2774490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000278C27786E0, 16 bytes long.
 Data: < ,w&#194;x           > 10 2C 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000278C2772C10, 992 bytes long.
 Data: <&#224;&#134;w&#194;x    Dw&#194;x   > E0 86 77 C2 78 02 00 00 90 44 77 C2 78 02 00 00 
{97} normal block at 0x00000278C2773B90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000278C2770E80, 16 bytes long.
 Data: <&#160;%w&#194;x           > A0 25 77 C2 78 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000278C27725A0, 40 bytes long.
 Data: <  w&#194;x    ;w&#194;x   > 80 0E 77 C2 78 02 00 00 90 3B 77 C2 78 02 00 00 
{74} normal block at 0x00000278C2770A70, 16 bytes long.
 Data: < &#234;OD&#247;           > 80 EA 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000278C2770A20, 16 bytes long.
 Data: <@&#233;OD&#247;           > 40 E9 4F 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000278C2771010, 16 bytes long.
 Data: <&#248;WLD&#247;           > F8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000278C27709D0, 16 bytes long.
 Data: <&#216;WLD&#247;           > D8 57 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000278C2770930, 16 bytes long.
 Data: <P LD&#247;           > 50 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000278C27707A0, 16 bytes long.
 Data: <0 LD&#247;           > 30 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000278C2770200, 16 bytes long.
 Data: <&#224; LD&#247;           > E0 02 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000278C2770ED0, 16 bytes long.
 Data: <  LD&#247;           > 10 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000278C2770980, 16 bytes long.
 Data: <p LD&#247;           > 70 04 4C 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000278C27710B0, 16 bytes long.
 Data: < &#192;JD&#247;           > 18 C0 4A 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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