Task 38675511

Name test_177-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND7570_3
Workunit 31610151
Created 26 Oct 2026, 8:30:58 UTC
Sent 26 Oct 2026, 8:30:58 UTC
Report deadline 31 Oct 2026, 8:30:58 UTC
Received 26 Oct 2026, 8:57:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 22 min 3 sec
CPU time 20 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.54 MB
Peak swap size 6.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:35:15 (15884): wrapper (7.9.26016): starting
09:35:15 (15884): 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
09:35:16 (15884): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:35:16 (15884): 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\4\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\4\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
09:56:33 (15884): C:/Windows/system32/cmd.exe exited; CPU time 1242.390625
09:56:33 (15884): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 17702283 bytes.
Dumping objects ->
{3835601} normal block at 0x0000022ABA29FB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x0000022ABA2A06F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x0000022ABA29FF10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x0000022ABA29F960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x0000022AB8574C00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x0000022ABA314F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000022ABA32E440, 102 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) : {3835512} normal block at 0x0000022AB856F200, 8 bytes long.
 Data: <   &#184;*   > 00 00 A2 B8 2A 02 00 00 
{3834713} normal block at 0x0000022ABA32E9C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000022AB856EC60, 8 bytes long.
 Data: < Y:&#186;*   > 90 59 3A BA 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022AB8570B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022AB8566410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000022AB85757D0, 16 bytes long.
 Data: <hgW&#184;*           > 68 67 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022AB8575410, 16 bytes long.
 Data: <@gW&#184;*           > 40 67 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022AB856F9B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000022AB8575320, 16 bytes long.
 Data: < gW&#184;*           > 18 67 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022AB8575780, 16 bytes long.
 Data: <&#240;fW&#184;*           > F0 66 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022AB8575FA0, 16 bytes long.
 Data: <&#200;fW&#184;*           > C8 66 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022AB8575550, 16 bytes long.
 Data: <&#160;fW&#184;*           > A0 66 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022AB8574DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000022AB8576090, 16 bytes long.
 Data: < &#230;V&#184;*           > 18 E6 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022AB856FFB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000022AB8575B90, 16 bytes long.
 Data: <&#240;&#229;V&#184;*           > F0 E5 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022AB8575730, 16 bytes long.
 Data: <&#200;&#229;V&#184;*           > C8 E5 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022AB8575D70, 16 bytes long.
 Data: <&#160;&#229;V&#184;*           > A0 E5 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022AB85758C0, 16 bytes long.
 Data: <x&#229;V&#184;*           > 78 E5 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022AB85755F0, 16 bytes long.
 Data: <P&#229;V&#184;*           > 50 E5 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022AB8575690, 16 bytes long.
 Data: <(&#229;V&#184;*           > 28 E5 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022AB856F7D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000022AB8575820, 16 bytes long.
 Data: < &#229;V&#184;*           > 00 E5 56 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022AB856E500, 320 bytes long.
 Data: < XW&#184;*   &#208;&#247;V&#184;*   > 20 58 57 B8 2A 02 00 00 D0 F7 56 B8 2A 02 00 00 
{276} normal block at 0x0000022AB8575AF0, 16 bytes long.
 Data: < fW&#184;*           > 80 66 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022AB85761D0, 16 bytes long.
 Data: <XfW&#184;*           > 58 66 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022AB85703D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000022AB8575A00, 16 bytes long.
 Data: <0fW&#184;*           > 30 66 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022AB8570010, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000022AB85753C0, 16 bytes long.
 Data: <xeW&#184;*           > 78 65 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022AB8575AA0, 16 bytes long.
 Data: <PeW&#184;*           > 50 65 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022AB85756E0, 16 bytes long.
 Data: <(eW&#184;*           > 28 65 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022AB8576220, 16 bytes long.
 Data: < eW&#184;*           > 00 65 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022AB8575CD0, 16 bytes long.
 Data: <&#216;dW&#184;*           > D8 64 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022AB8575C80, 16 bytes long.
 Data: <&#176;dW&#184;*           > B0 64 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022AB8575B40, 16 bytes long.
 Data: < HW&#184;*           > 10 48 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022AB8574810, 40 bytes long.
 Data: <@[W&#184;*    O1&#186;*   > 40 5B 57 B8 2A 02 00 00 80 4F 31 BA 2A 02 00 00 
{262} normal block at 0x0000022AB8575460, 16 bytes long.
 Data: < dW&#184;*           > 90 64 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022AB8575A50, 16 bytes long.
 Data: <hdW&#184;*           > 68 64 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022AB856FC50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000022AB85759B0, 16 bytes long.
 Data: <@dW&#184;*           > 40 64 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022AB8576440, 992 bytes long.
 Data: <&#176;YW&#184;*   P&#252;V&#184;*   > B0 59 57 B8 2A 02 00 00 50 FC 56 B8 2A 02 00 00 
{94} normal block at 0x0000022AB856FAD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000022AB856EBC0, 16 bytes long.
 Data: <pLW&#184;*           > 70 4C 57 B8 2A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022AB8574C70, 40 bytes long.
 Data: <&#192;&#235;V&#184;*   &#208;&#250;V&#184;*   > C0 EB 56 B8 2A 02 00 00 D0 FA 56 B8 2A 02 00 00 
{71} normal block at 0x0000022AB856EA30, 16 bytes long.
 Data: < &#234;&#180;w&#246;           > 80 EA B4 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022AB856F250, 16 bytes long.
 Data: <@&#233;&#180;w&#246;           > 40 E9 B4 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022AB856E800, 16 bytes long.
 Data: <&#248;W&#177;w&#246;           > F8 57 B1 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022AB856F480, 16 bytes long.
 Data: <&#216;W&#177;w&#246;           > D8 57 B1 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022AB856F430, 16 bytes long.
 Data: <P &#177;w&#246;           > 50 04 B1 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022AB856F6B0, 16 bytes long.
 Data: <0 &#177;w&#246;           > 30 04 B1 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022AB856ED00, 16 bytes long.
 Data: <&#224; &#177;w&#246;           > E0 02 B1 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022AB856F390, 16 bytes long.
 Data: <  &#177;w&#246;           > 10 04 B1 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022AB856EDA0, 16 bytes long.
 Data: <p &#177;w&#246;           > 70 04 B1 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022AB856EE40, 16 bytes long.
 Data: < &#192;&#175;w&#246;           > 18 C0 AF 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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