Task 38687569

Name test_552-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND0621_0
Workunit 31628954
Created 28 Oct 2026, 8:33:09 UTC
Sent 28 Oct 2026, 8:33:12 UTC
Report deadline 2 Nov 2026, 8:33:12 UTC
Received 28 Oct 2026, 9:24:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641051
Run time 21 min 15 sec
CPU time 19 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.94 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:04:40 (39456): wrapper (7.9.26016): starting
05:04:40 (39456): 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
05:04:41 (39456): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:04:41 (39456): 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\32\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\32\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
05:24:01 (39456): C:/Windows/system32/cmd.exe exited; CPU time 1145.593750
05:24:01 (39456): 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: 24772929 bytes.
Dumping objects ->
{3835197} normal block at 0x00000233098B3910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000233098B38A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000233098B3F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x00000233098B3FA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000233098B3EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000002330BC38AE0, 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) : {3835109} normal block at 0x00000233098AE130, 8 bytes long.
 Data: <  v	3   > 00 00 76 09 33 02 00 00 
{3833959} normal block at 0x00000233098ADAF0, 8 bytes long.
 Data: <0 &#201; 3   > 30 13 C9 0B 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000233098A5420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000233098B0280, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000233098B4E10, 16 bytes long.
 Data: < W&#139;	3           > 98 57 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000233098B48C0, 16 bytes long.
 Data: <pW&#139;	3           > 70 57 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000233098AF690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000233098B4870, 16 bytes long.
 Data: <HW&#139;	3           > 48 57 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000233098B46E0, 16 bytes long.
 Data: < W&#139;	3           > 20 57 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000233098B4690, 16 bytes long.
 Data: <&#248;V&#139;	3           > F8 56 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000233098B47D0, 16 bytes long.
 Data: <&#208;V&#139;	3           > D0 56 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000233098B39F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000233098B4E60, 16 bytes long.
 Data: <X&#224;&#137;	3           > 58 E0 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000233098AF630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000233098B4640, 16 bytes long.
 Data: <0&#224;&#137;	3           > 30 E0 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000233098B4550, 16 bytes long.
 Data: < &#224;&#137;	3           > 08 E0 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000233098B53B0, 16 bytes long.
 Data: <&#224;&#223;&#137;	3           > E0 DF 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000233098B52C0, 16 bytes long.
 Data: <&#184;&#223;&#137;	3           > B8 DF 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000233098B50E0, 16 bytes long.
 Data: < &#223;&#137;	3           > 90 DF 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000233098B45F0, 16 bytes long.
 Data: <h&#223;&#137;	3           > 68 DF 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000233098AF810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000233098B4FA0, 16 bytes long.
 Data: <@&#223;&#137;	3           > 40 DF 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002330989DF40, 320 bytes long.
 Data: <&#160;O&#139;	3    &#248;&#138;	3   > A0 4F 8B 09 33 02 00 00 10 F8 8A 09 33 02 00 00 
{275} normal block at 0x00000233098B45A0, 16 bytes long.
 Data: <&#176;V&#139;	3           > B0 56 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000233098B5310, 16 bytes long.
 Data: < V&#139;	3           > 88 56 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000233098AEDF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000233098B4DC0, 16 bytes long.
 Data: <`V&#139;	3           > 60 56 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000233098AED90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000233098B4EB0, 16 bytes long.
 Data: <&#168;U&#139;	3           > A8 55 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000233098B4780, 16 bytes long.
 Data: < U&#139;	3           > 80 55 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000233098B4D70, 16 bytes long.
 Data: <XU&#139;	3           > 58 55 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000233098B5360, 16 bytes long.
 Data: <0U&#139;	3           > 30 55 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000233098B4D20, 16 bytes long.
 Data: < U&#139;	3           > 08 55 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000233098B4960, 16 bytes long.
 Data: <&#224;T&#139;	3           > E0 54 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000233098B5090, 16 bytes long.
 Data: <&#224;=&#139;	3           > E0 3D 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000233098B3DE0, 40 bytes long.
 Data: < P&#139;	3   &#224;&#138;&#195; 3   > 90 50 8B 09 33 02 00 00 E0 8A C3 0B 33 02 00 00 
{261} normal block at 0x00000233098B4C80, 16 bytes long.
 Data: <&#192;T&#139;	3           > C0 54 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000233098B4CD0, 16 bytes long.
 Data: < T&#139;	3           > 98 54 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000233098AEBB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000233098B4500, 16 bytes long.
 Data: <pT&#139;	3           > 70 54 8B 09 33 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000233098B5470, 992 bytes long.
 Data: < E&#139;	3   &#176;&#235;&#138;	3   > 00 45 8B 09 33 02 00 00 B0 EB 8A 09 33 02 00 00 
{93} normal block at 0x00000233098AF1B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000233098AE770, 16 bytes long.
 Data: < &#194;&#137;	3           > 00 C2 89 09 33 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002330989C200, 40 bytes long.
 Data: <p&#231;&#138;	3   &#176;&#241;&#138;	3   > 70 E7 8A 09 33 02 00 00 B0 F1 8A 09 33 02 00 00 
{70} normal block at 0x00000233098ADDC0, 16 bytes long.
 Data: < &#234;&#216;&#160;&#247;           > 80 EA D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000233098ADE10, 16 bytes long.
 Data: <@&#233;&#216;&#160;&#247;           > 40 E9 D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000233098AE3B0, 16 bytes long.
 Data: <&#248;W&#213;&#160;&#247;           > F8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000233098AE270, 16 bytes long.
 Data: <&#216;W&#213;&#160;&#247;           > D8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000233098AE360, 16 bytes long.
 Data: <P &#213;&#160;&#247;           > 50 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000233098AE220, 16 bytes long.
 Data: <0 &#213;&#160;&#247;           > 30 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000233098ADD20, 16 bytes long.
 Data: <&#224; &#213;&#160;&#247;           > E0 02 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000233098AE540, 16 bytes long.
 Data: <  &#213;&#160;&#247;           > 10 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000233098ADCD0, 16 bytes long.
 Data: <p &#213;&#160;&#247;           > 70 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000233098ADAA0, 16 bytes long.
 Data: < &#192;&#211;&#160;&#247;           > 18 C0 D3 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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