Task 38654066

Name test_99-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND0292_0
Workunit 31597917
Created 24 Oct 2026, 6:38:51 UTC
Sent 24 Oct 2026, 6:53:03 UTC
Report deadline 29 Oct 2026, 6:53:03 UTC
Received 24 Oct 2026, 7:34:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616957
Run time 26 min 45 sec
CPU time 25 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,295.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.66 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:08:01 (55012): wrapper (7.9.26016): starting
09:08:01 (55012): 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
09:08:02 (55012): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:08:02 (55012): 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
09:34:16 (55012): C:/Windows/system32/cmd.exe exited; CPU time 1519.640625
09:34:16 (55012): 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: 27943965 bytes.
Dumping objects ->
{3835266} normal block at 0x000002E1C1C07520, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002E1C1C074B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x000002E1C1C07440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x000002E1C1C073D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000002E1C1C06FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x000002E1C3A48E40, 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) : {3835178} normal block at 0x000002E1C1C00510, 8 bytes long.
 Data: <   &#194;&#225;   > 00 00 14 C2 E1 02 00 00 
{3833963} normal block at 0x000002E1C1C01190, 8 bytes long.
 Data: <&#192;&#217;&#190;&#193;&#225;   > C0 D9 BE C1 E1 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002E1C1BF6AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002E1C1BF76A0, 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 0x000002E1C1C05F20, 16 bytes long.
 Data: <&#184;m&#192;&#193;&#225;           > B8 6D C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002E1C1C05840, 16 bytes long.
 Data: < m&#192;&#193;&#225;           > 90 6D C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E1C1C01DD0, 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 0x000002E1C1C06510, 16 bytes long.
 Data: <hm&#192;&#193;&#225;           > 68 6D C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002E1C1C05CA0, 16 bytes long.
 Data: <@m&#192;&#193;&#225;           > 40 6D C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E1C1C05F70, 16 bytes long.
 Data: < m&#192;&#193;&#225;           > 18 6D C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002E1C1C06380, 16 bytes long.
 Data: <&#240;l&#192;&#193;&#225;           > F0 6C C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E1C1C071A0, 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 0x000002E1C1C05980, 16 bytes long.
 Data: <x&#183;&#190;&#193;&#225;           > 78 B7 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002E1C1C02130, 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 0x000002E1C1C06100, 16 bytes long.
 Data: <P&#183;&#190;&#193;&#225;           > 50 B7 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E1C1C05BB0, 16 bytes long.
 Data: <(&#183;&#190;&#193;&#225;           > 28 B7 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E1C1C064C0, 16 bytes long.
 Data: < &#183;&#190;&#193;&#225;           > 00 B7 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E1C1C05DE0, 16 bytes long.
 Data: <&#216;&#182;&#190;&#193;&#225;           > D8 B6 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E1C1C060B0, 16 bytes long.
 Data: <&#176;&#182;&#190;&#193;&#225;           > B0 B6 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E1C1C06330, 16 bytes long.
 Data: < &#182;&#190;&#193;&#225;           > 88 B6 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E1C1C018F0, 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 0x000002E1C1C057F0, 16 bytes long.
 Data: <`&#182;&#190;&#193;&#225;           > 60 B6 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E1C1BEB660, 320 bytes long.
 Data: <&#240;W&#192;&#193;&#225;   &#240; &#192;&#193;&#225;   > F0 57 C0 C1 E1 02 00 00 F0 18 C0 C1 E1 02 00 00 
{277} normal block at 0x000002E1C1C062E0, 16 bytes long.
 Data: <&#208;l&#192;&#193;&#225;           > D0 6C C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002E1C1C06650, 16 bytes long.
 Data: <&#168;l&#192;&#193;&#225;           > A8 6C C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E1C1C01710, 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 0x000002E1C1C06600, 16 bytes long.
 Data: < l&#192;&#193;&#225;           > 80 6C C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E1C1C01CB0, 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 0x000002E1C1C058E0, 16 bytes long.
 Data: <&#200;k&#192;&#193;&#225;           > C8 6B C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E1C1C05C00, 16 bytes long.
 Data: <&#160;k&#192;&#193;&#225;           > A0 6B C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E1C1C066F0, 16 bytes long.
 Data: <xk&#192;&#193;&#225;           > 78 6B C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E1C1C05FC0, 16 bytes long.
 Data: <Pk&#192;&#193;&#225;           > 50 6B C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E1C1C06470, 16 bytes long.
 Data: <(k&#192;&#193;&#225;           > 28 6B C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E1C1C05ED0, 16 bytes long.
 Data: < k&#192;&#193;&#225;           > 00 6B C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E1C1C06420, 16 bytes long.
 Data: < &#230;&#190;&#193;&#225;           > 80 E6 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E1C1BEE680, 40 bytes long.
 Data: < d&#192;&#193;&#225;   @&#142;&#164;&#195;&#225;   > 20 64 C0 C1 E1 02 00 00 40 8E A4 C3 E1 02 00 00 
{263} normal block at 0x000002E1C1C05B60, 16 bytes long.
 Data: <&#224;j&#192;&#193;&#225;           > E0 6A C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E1C1C061F0, 16 bytes long.
 Data: <&#184;j&#192;&#193;&#225;           > B8 6A C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E1C1C01BF0, 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 0x000002E1C1C05E80, 16 bytes long.
 Data: < j&#192;&#193;&#225;           > 90 6A C0 C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E1C1C06A90, 992 bytes long.
 Data: < ^&#192;&#193;&#225;   &#240; &#192;&#193;&#225;   > 80 5E C0 C1 E1 02 00 00 F0 1B C0 C1 E1 02 00 00 
{95} normal block at 0x000002E1C1C01C50, 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 0x000002E1C1C00790, 16 bytes long.
 Data: <&#192;&#200;&#190;&#193;&#225;           > C0 C8 BE C1 E1 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002E1C1BEC8C0, 40 bytes long.
 Data: <  &#192;&#193;&#225;   P &#192;&#193;&#225;   > 90 07 C0 C1 E1 02 00 00 50 1C C0 C1 E1 02 00 00 
{72} normal block at 0x000002E1C1C00650, 16 bytes long.
 Data: < &#234;\C&#247;           > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002E1C1C011E0, 16 bytes long.
 Data: <@&#233;\C&#247;           > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002E1C1C00DD0, 16 bytes long.
 Data: <&#248;WYC&#247;           > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002E1C1C00D80, 16 bytes long.
 Data: <&#216;WYC&#247;           > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E1C1C008D0, 16 bytes long.
 Data: <P YC&#247;           > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E1C1C010F0, 16 bytes long.
 Data: <0 YC&#247;           > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E1C1C00B50, 16 bytes long.
 Data: <&#224; YC&#247;           > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E1C1C00D30, 16 bytes long.
 Data: <  YC&#247;           > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E1C1C00FB0, 16 bytes long.
 Data: <p YC&#247;           > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E1C1C00880, 16 bytes long.
 Data: < &#192;WC&#247;           > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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