Task 38680468

Name test_746-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3981_0
Workunit 31622187
Created 27 Oct 2026, 0:05:31 UTC
Sent 27 Oct 2026, 0:05:35 UTC
Report deadline 1 Nov 2026, 0:05:35 UTC
Received 27 Oct 2026, 2:13:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 31 min 54 sec
CPU time 31 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.16 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:41:33 (24776): wrapper (7.9.26016): starting
20:41:33 (24776): 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
20:41:34 (24776): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:41:34 (24776): 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
21:12:44 (24776): C:/Windows/system32/cmd.exe exited; CPU time 1879.765625
21:12:44 (24776): 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: 25887333 bytes.
Dumping objects ->
{3835231} normal block at 0x0000014D4959CB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000014D4959CCE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000014D4959D060, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835198} normal block at 0x0000014D478B4B90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x0000014D478B4490, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835156} normal block at 0x0000014D495E7CC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x0000014D495FEB50, 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) : {3835142} normal block at 0x0000014D478AEA00, 8 bytes long.
 Data: <  &#215;GM   > 00 00 D7 47 4D 01 00 00 
{3834540} normal block at 0x0000014D495FE680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000014D478AE640, 8 bytes long.
 Data: <p&#174; GM   > 70 AE 8D 47 4D 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000014D478B0F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014D4789ECA0, 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 0x0000014D478B57D0, 16 bytes long.
 Data: < c&#139;GM           > 88 63 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014D478B5E60, 16 bytes long.
 Data: <`c&#139;GM           > 60 63 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014D478AF7A0, 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 0x0000014D478B5730, 16 bytes long.
 Data: <8c&#139;GM           > 38 63 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014D478B5E10, 16 bytes long.
 Data: < c&#139;GM           > 10 63 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014D478B51E0, 16 bytes long.
 Data: <&#232;b&#139;GM           > E8 62 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014D478B5640, 16 bytes long.
 Data: <&#192;b&#139;GM           > C0 62 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014D478B4960, 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 0x0000014D478B55F0, 16 bytes long.
 Data: <&#184;&#181;&#137;GM           > B8 B5 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014D478AFF20, 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 0x0000014D478B5370, 16 bytes long.
 Data: < &#181;&#137;GM           > 90 B5 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014D478B5A00, 16 bytes long.
 Data: <h&#181;&#137;GM           > 68 B5 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014D478B5DC0, 16 bytes long.
 Data: <@&#181;&#137;GM           > 40 B5 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014D478B53C0, 16 bytes long.
 Data: < &#181;&#137;GM           > 18 B5 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014D478B5D70, 16 bytes long.
 Data: <&#240;&#180;&#137;GM           > F0 B4 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014D478B5500, 16 bytes long.
 Data: <&#200;&#180;&#137;GM           > C8 B4 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014D478B0400, 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 0x0000014D478B59B0, 16 bytes long.
 Data: <&#160;&#180;&#137;GM           > A0 B4 89 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014D4789B4A0, 320 bytes long.
 Data: <&#176;Y&#139;GM     &#139;GM   > B0 59 8B 47 4D 01 00 00 00 04 8B 47 4D 01 00 00 
{275} normal block at 0x0000014D478B5D20, 16 bytes long.
 Data: <&#160;b&#139;GM           > A0 62 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014D478B5BE0, 16 bytes long.
 Data: <xb&#139;GM           > 78 62 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014D478AF9E0, 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 0x0000014D478B54B0, 16 bytes long.
 Data: <Pb&#139;GM           > 50 62 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014D478AFBC0, 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 0x0000014D478B5CD0, 16 bytes long.
 Data: < a&#139;GM           > 98 61 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014D478B5AA0, 16 bytes long.
 Data: <pa&#139;GM           > 70 61 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014D478B5460, 16 bytes long.
 Data: <Ha&#139;GM           > 48 61 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014D478B5410, 16 bytes long.
 Data: < a&#139;GM           > 20 61 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014D478B56E0, 16 bytes long.
 Data: <&#248;`&#139;GM           > F8 60 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014D478B5FF0, 16 bytes long.
 Data: <&#208;`&#139;GM           > D0 60 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014D478B5690, 16 bytes long.
 Data: <pE&#139;GM           > 70 45 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014D478B4570, 40 bytes long.
 Data: < V&#139;GM   &#192;|^IM   > 90 56 8B 47 4D 01 00 00 C0 7C 5E 49 4D 01 00 00 
{261} normal block at 0x0000014D478B5550, 16 bytes long.
 Data: <&#176;`&#139;GM           > B0 60 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014D478B5AF0, 16 bytes long.
 Data: < `&#139;GM           > 88 60 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014D478AFB60, 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 0x0000014D478B5140, 16 bytes long.
 Data: <``&#139;GM           > 60 60 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014D478B6060, 992 bytes long.
 Data: <@Q&#139;GM   `&#251;&#138;GM   > 40 51 8B 47 4D 01 00 00 60 FB 8A 47 4D 01 00 00 
{93} normal block at 0x0000014D478AF920, 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 0x0000014D478AF180, 16 bytes long.
 Data: < E&#139;GM           > 00 45 8B 47 4D 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000014D478B4500, 40 bytes long.
 Data: < &#241;&#138;GM    &#249;&#138;GM   > 80 F1 8A 47 4D 01 00 00 20 F9 8A 47 4D 01 00 00 
{70} normal block at 0x0000014D478AF1D0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014D478AEAF0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 03 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014D478AE8C0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014D478AE780, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014D478AEFF0, 16 bytes long.
 Data: <P   &#246;           > 50 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014D478AED70, 16 bytes long.
 Data: <0   &#246;           > 30 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014D478AEBE0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014D478AEB90, 16 bytes long.
 Data: <    &#246;           > 10 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014D478AF040, 16 bytes long.
 Data: <p   &#246;           > 70 04 00 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014D478AED20, 16 bytes long.
 Data: < &#192;&#254; &#246;           > 18 C0 FE 11 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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