Task 38668525

Name test_408-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6092_0
Workunit 31611028
Created 25 Oct 2026, 12:01:34 UTC
Sent 25 Oct 2026, 12:01:40 UTC
Report deadline 30 Oct 2026, 12:01:40 UTC
Received 25 Oct 2026, 12:23:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 21 min 32 sec
CPU time 20 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,775.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.68 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:02:43 (50412): wrapper (7.9.26016): starting
08:02:43 (50412): 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
08:02:44 (50412): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:02:44 (50412): 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 'G:\BoincData\slots\19\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 'G:\BoincData\slots\19\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
08:23:24 (50412): C:/Windows/system32/cmd.exe exited; CPU time 1228.078125
08:23:24 (50412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 26639341 bytes.
Dumping objects ->
{3835574} normal block at 0x0000015F69DD0CA0, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835563} normal block at 0x0000015F69FF83C0, 32 bytes long.
 Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835552} normal block at 0x0000015F69FF6E60, 32 bytes long.
 Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835541} normal block at 0x0000015F69FF7700, 32 bytes long.
 Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
{3835530} normal block at 0x0000015F69FF76A0, 32 bytes long.
 Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44 
{3835499} normal block at 0x0000015F69DD1100, 48 bytes long.
 Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x0000015F681AEF80, 8 bytes long.
 Data: <  hh_   > 00 00 68 68 5F 01 00 00 
{3833957} normal block at 0x0000015F681AFCF0, 8 bytes long.
 Data: <p&#231;&#221;i_   > 70 E7 DD 69 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000015F681B1E30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015F681A8BD0, 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 0x0000015F681BD900, 16 bytes long.
 Data: <8&#221; h_           > 38 DD 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015F681BD220, 16 bytes long.
 Data: < &#221; h_           > 10 DD 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015F681B9700, 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 0x0000015F681BD180, 16 bytes long.
 Data: <&#232;&#220; h_           > E8 DC 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015F681BD130, 16 bytes long.
 Data: <&#192;&#220; h_           > C0 DC 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015F681BCE60, 16 bytes long.
 Data: < &#220; h_           > 98 DC 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015F681BCB40, 16 bytes long.
 Data: <p&#220; h_           > 70 DC 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015F681B6DB0, 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 0x0000015F681BD7C0, 16 bytes long.
 Data: <&#248;&#154; h_           > F8 9A 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015F681B9760, 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 0x0000015F681BD1D0, 16 bytes long.
 Data: <&#208;&#154; h_           > D0 9A 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015F681BCAA0, 16 bytes long.
 Data: <&#168;&#154; h_           > A8 9A 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015F681BCF00, 16 bytes long.
 Data: < &#154; h_           > 80 9A 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015F681BD0E0, 16 bytes long.
 Data: <X&#154; h_           > 58 9A 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015F681BD360, 16 bytes long.
 Data: <0&#154; h_           > 30 9A 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015F681BD9A0, 16 bytes long.
 Data: < &#154; h_           > 08 9A 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015F681B95E0, 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 0x0000015F681BD770, 16 bytes long.
 Data: <&#224;  h_           > E0 99 1A 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015F681A99E0, 320 bytes long.
 Data: <p&#215; h_   &#224;&#149; h_   > 70 D7 1B 68 5F 01 00 00 E0 95 1B 68 5F 01 00 00 
{274} normal block at 0x0000015F681BCE10, 16 bytes long.
 Data: <P&#220; h_           > 50 DC 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015F681BD950, 16 bytes long.
 Data: <(&#220; h_           > 28 DC 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015F681B9D60, 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 0x0000015F681BD720, 16 bytes long.
 Data: < &#220; h_           > 00 DC 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015F681B9AC0, 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 0x0000015F681BD4F0, 16 bytes long.
 Data: <H&#219; h_           > 48 DB 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015F681BCC80, 16 bytes long.
 Data: < &#219; h_           > 20 DB 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015F681BD040, 16 bytes long.
 Data: <&#248;&#218; h_           > F8 DA 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015F681BCFF0, 16 bytes long.
 Data: <&#208;&#218; h_           > D0 DA 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015F681BCBE0, 16 bytes long.
 Data: <&#168;&#218; h_           > A8 DA 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015F681BD5E0, 16 bytes long.
 Data: < &#218; h_           > 80 DA 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015F681BD450, 16 bytes long.
 Data: <&#192;i h_           > C0 69 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015F681B69C0, 40 bytes long.
 Data: <P&#212; h_     &#221;i_   > 50 D4 1B 68 5F 01 00 00 00 11 DD 69 5F 01 00 00 
{260} normal block at 0x0000015F681BCCD0, 16 bytes long.
 Data: <`&#218; h_           > 60 DA 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015F681BD630, 16 bytes long.
 Data: <8&#218; h_           > 38 DA 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015F681B9B20, 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 0x0000015F681BD8B0, 16 bytes long.
 Data: < &#218; h_           > 10 DA 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015F681BDA10, 992 bytes long.
 Data: <&#176;&#216; h_    &#155; h_   > B0 D8 1B 68 5F 01 00 00 20 9B 1B 68 5F 01 00 00 
{92} normal block at 0x0000015F681B9580, 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 0x0000015F681AF9D0, 16 bytes long.
 Data: <`l h_           > 60 6C 1B 68 5F 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000015F681B6C60, 40 bytes long.
 Data: <&#208;&#249; h_    &#149; h_   > D0 F9 1A 68 5F 01 00 00 80 95 1B 68 5F 01 00 00 
{69} normal block at 0x0000015F681AF480, 16 bytes long.
 Data: < &#234;~ &#246;           > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015F681AFA70, 16 bytes long.
 Data: <@&#233;~ &#246;           > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015F681AFD40, 16 bytes long.
 Data: <&#248;W{ &#246;           > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015F681AF520, 16 bytes long.
 Data: <&#216;W{ &#246;           > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015F681AF020, 16 bytes long.
 Data: <P { &#246;           > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015F681AF840, 16 bytes long.
 Data: <0 { &#246;           > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015F681AF660, 16 bytes long.
 Data: <&#224; { &#246;           > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015F681AEE90, 16 bytes long.
 Data: <  { &#246;           > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015F681AF7F0, 16 bytes long.
 Data: <p { &#246;           > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015F681AF570, 16 bytes long.
 Data: < &#192;y &#246;           > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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