Task 38676216

Name test_333-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND0547_0
Workunit 31618144
Created 26 Oct 2026, 10:37:25 UTC
Sent 26 Oct 2026, 10:37:28 UTC
Report deadline 31 Oct 2026, 10:37:28 UTC
Received 26 Oct 2026, 12:48:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 32 min 44 sec
CPU time 32 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.54 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>
07:15:44 (4748): wrapper (7.9.26016): starting
07:15:44 (4748): 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
07:15:45 (4748): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:15:45 (4748): 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
07:48:00 (4748): C:/Windows/system32/cmd.exe exited; CPU time 1927.750000
07:48:00 (4748): 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: 29426201 bytes.
Dumping objects ->
{3835546} normal block at 0x0000022435C4CD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x0000022433E94410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x0000022433E945D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x0000022433E943A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000022433E949C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x0000022435C95830, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000022435CAE150, 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) : {3835457} normal block at 0x0000022433E8E550, 8 bytes long.
 Data: <  M4$   > 00 00 4D 34 24 02 00 00 
{3834682} normal block at 0x0000022435CAE620, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000022433E8F270, 8 bytes long.
 Data: <&#224;;&#233;3$   > E0 3B E9 33 24 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022433E90AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022433E86950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000022433E95190, 16 bytes long.
 Data: < b&#233;3$           > 98 62 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022433E955A0, 16 bytes long.
 Data: <pb&#233;3$           > 70 62 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022433E8F770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000022433E95820, 16 bytes long.
 Data: <Hb&#233;3$           > 48 62 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022433E95000, 16 bytes long.
 Data: < b&#233;3$           > 20 62 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022433E957D0, 16 bytes long.
 Data: <&#248;a&#233;3$           > F8 61 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022433E95460, 16 bytes long.
 Data: <&#208;a&#233;3$           > D0 61 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022433E94640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000022433E95230, 16 bytes long.
 Data: < &#232;&#231;3$           > 88 E8 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022433E8FAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000022433E94FB0, 16 bytes long.
 Data: <`&#232;&#231;3$           > 60 E8 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022433E953C0, 16 bytes long.
 Data: <8&#232;&#231;3$           > 38 E8 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022433E95640, 16 bytes long.
 Data: < &#232;&#231;3$           > 10 E8 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022433E95D70, 16 bytes long.
 Data: <&#232;&#231;&#231;3$           > E8 E7 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022433E95BE0, 16 bytes long.
 Data: <&#192;&#231;&#231;3$           > C0 E7 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022433E95AF0, 16 bytes long.
 Data: < &#231;&#231;3$           > 98 E7 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022433E90070, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000022433E95780, 16 bytes long.
 Data: <p&#231;&#231;3$           > 70 E7 E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022433E7E770, 320 bytes long.
 Data: < W&#233;3$   p &#233;3$   > 80 57 E9 33 24 02 00 00 70 00 E9 33 24 02 00 00 
{274} normal block at 0x0000022433E95320, 16 bytes long.
 Data: <&#176;a&#233;3$           > B0 61 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022433E95730, 16 bytes long.
 Data: < a&#233;3$           > 88 61 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022433E8F4D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000022433E95410, 16 bytes long.
 Data: <`a&#233;3$           > 60 61 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022433E8FCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000022433E959B0, 16 bytes long.
 Data: <&#168;`&#233;3$           > A8 60 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022433E95280, 16 bytes long.
 Data: < `&#233;3$           > 80 60 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022433E95550, 16 bytes long.
 Data: <X`&#233;3$           > 58 60 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022433E95F00, 16 bytes long.
 Data: <0`&#233;3$           > 30 60 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022433E956E0, 16 bytes long.
 Data: < `&#233;3$           > 08 60 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022433E95D20, 16 bytes long.
 Data: <&#224;_&#233;3$           > E0 5F E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022433E950F0, 16 bytes long.
 Data: <&#176;F&#233;3$           > B0 46 E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022433E946B0, 40 bytes long.
 Data: <&#240;P&#233;3$   0X&#201;5$   > F0 50 E9 33 24 02 00 00 30 58 C9 35 24 02 00 00 
{260} normal block at 0x0000022433E95E60, 16 bytes long.
 Data: <&#192;_&#233;3$           > C0 5F E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022433E955F0, 16 bytes long.
 Data: < _&#233;3$           > 98 5F E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022433E90250, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000022433E95B90, 16 bytes long.
 Data: <p_&#233;3$           > 70 5F E9 33 24 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022433E95F70, 992 bytes long.
 Data: < [&#233;3$   P &#233;3$   > 90 5B E9 33 24 02 00 00 50 02 E9 33 24 02 00 00 
{92} normal block at 0x0000022433E8FFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000022433E8E5A0, 16 bytes long.
 Data: < &#237;&#231;3$           > 80 ED E7 33 24 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022433E7ED80, 40 bytes long.
 Data: <&#160;&#229;&#232;3$   &#176;&#255;&#232;3$   > A0 E5 E8 33 24 02 00 00 B0 FF E8 33 24 02 00 00 
{69} normal block at 0x0000022433E8F130, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022433E8F2C0, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022433E8EF00, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022433E8E5F0, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022433E8E820, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022433E8F3B0, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022433E8F220, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022433E8F1D0, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022433E8F040, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022433E8E640, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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