Task 38675516

Name test_526-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6658_0
Workunit 31617483
Created 26 Oct 2026, 8:31:28 UTC
Sent 26 Oct 2026, 8:31:29 UTC
Report deadline 31 Oct 2026, 8:31:29 UTC
Received 26 Oct 2026, 11:46:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654946
Run time 1 hours 0 min 3 sec
CPU time 58 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,147.61 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 688.48 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:38:12 (9364): wrapper (7.9.26016): starting
11:38:12 (9364): 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
11:38:13 (9364): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:38:13 (9364): 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:\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:\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
12:37:13 (9364): C:/Windows/system32/cmd.exe exited; CPU time 3521.625000
12:37:13 (9364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 47976113 bytes.
Dumping objects ->
{3835464} normal block at 0x0000025FAD2657C0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835453} normal block at 0x0000025FAEEB1EB0, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835442} normal block at 0x0000025FAEEB2030, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835431} normal block at 0x0000025FAEEB1C70, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835420} normal block at 0x0000025FAEEB2E70, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835389} normal block at 0x0000025FAD265AD0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835378} normal block at 0x0000025FAEE7F520, 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) : {3835375} normal block at 0x0000025FAD261D70, 8 bytes long.
 Data: <   &#173;_   > 00 00 1D AD 5F 02 00 00 
{3834659} normal block at 0x0000025FAEE7F310, 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 0x0000025FAD261910, 8 bytes long.
 Data: < L&&#173;_   > 90 4C 26 AD 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025FAD257620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025FAD2583B0, 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 0x0000025FAD2666C0, 16 bytes long.
 Data: <8d&&#173;_           > 38 64 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025FAD267390, 16 bytes long.
 Data: < d&&#173;_           > 10 64 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025FAD2601B0, 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 0x0000025FAD267020, 16 bytes long.
 Data: <&#232;c&&#173;_           > E8 63 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025FAD267340, 16 bytes long.
 Data: <&#192;c&&#173;_           > C0 63 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025FAD266670, 16 bytes long.
 Data: < c&&#173;_           > 98 63 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025FAD266620, 16 bytes long.
 Data: <pc&&#173;_           > 70 63 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025FAD265440, 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 0x0000025FAD266940, 16 bytes long.
 Data: < ]&&#173;_           > 18 5D 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025FAD260C90, 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 0x0000025FAD266B20, 16 bytes long.
 Data: <&#240;\&&#173;_           > F0 5C 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025FAD266F30, 16 bytes long.
 Data: <&#200;\&&#173;_           > C8 5C 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025FAD2672F0, 16 bytes long.
 Data: <&#160;\&&#173;_           > A0 5C 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025FAD266EE0, 16 bytes long.
 Data: <x\&&#173;_           > 78 5C 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025FAD2674D0, 16 bytes long.
 Data: <P\&&#173;_           > 50 5C 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025FAD267250, 16 bytes long.
 Data: <(\&&#173;_           > 28 5C 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025FAD2607B0, 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 0x0000025FAD267110, 16 bytes long.
 Data: < \&&#173;_           > 00 5C 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025FAD265C00, 320 bytes long.
 Data: < q&&#173;_   &#176; &&#173;_   > 10 71 26 AD 5F 02 00 00 B0 07 26 AD 5F 02 00 00 
{276} normal block at 0x0000025FAD266C10, 16 bytes long.
 Data: <Pc&&#173;_           > 50 63 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025FAD2672A0, 16 bytes long.
 Data: <(c&&#173;_           > 28 63 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025FAD2603F0, 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 0x0000025FAD266E90, 16 bytes long.
 Data: < c&&#173;_           > 00 63 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025FAD260C30, 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 0x0000025FAD2665D0, 16 bytes long.
 Data: <Hb&&#173;_           > 48 62 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025FAD266AD0, 16 bytes long.
 Data: < b&&#173;_           > 20 62 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025FAD266D50, 16 bytes long.
 Data: <&#248;a&&#173;_           > F8 61 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025FAD2668F0, 16 bytes long.
 Data: <&#208;a&&#173;_           > D0 61 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025FAD266A30, 16 bytes long.
 Data: <&#168;a&&#173;_           > A8 61 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025FAD261F00, 16 bytes long.
 Data: < a&&#173;_           > 80 61 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025FAD261D20, 16 bytes long.
 Data: <&#176;T&&#173;_           > B0 54 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025FAD2654B0, 40 bytes long.
 Data: <  &&#173;_   &#208;Z&&#173;_   > 20 1D 26 AD 5F 02 00 00 D0 5A 26 AD 5F 02 00 00 
{262} normal block at 0x0000025FAD261AA0, 16 bytes long.
 Data: <`a&&#173;_           > 60 61 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025FAD261780, 16 bytes long.
 Data: <8a&&#173;_           > 38 61 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025FAD260BD0, 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 0x0000025FAD261690, 16 bytes long.
 Data: < a&&#173;_           > 10 61 26 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025FAD266110, 992 bytes long.
 Data: <  &&#173;_   &#208; &&#173;_   > 90 16 26 AD 5F 02 00 00 D0 0B 26 AD 5F 02 00 00 
{94} normal block at 0x0000025FAD260210, 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 0x0000025FAD261640, 16 bytes long.
 Data: <`&#228;$&#173;_           > 60 E4 24 AD 5F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025FAD24E460, 40 bytes long.
 Data: <@ &&#173;_     &&#173;_   > 40 16 26 AD 5F 02 00 00 10 02 26 AD 5F 02 00 00 
{71} normal block at 0x0000025FAD261230, 16 bytes long.
 Data: < &#234;w3&#246;           > 80 EA 77 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025FAD2618C0, 16 bytes long.
 Data: <@&#233;w3&#246;           > 40 E9 77 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025FAD261140, 16 bytes long.
 Data: <&#248;Wt3&#246;           > F8 57 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025FAD261870, 16 bytes long.
 Data: <&#216;Wt3&#246;           > D8 57 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025FAD261A50, 16 bytes long.
 Data: <P t3&#246;           > 50 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025FAD2615F0, 16 bytes long.
 Data: <0 t3&#246;           > 30 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025FAD2612D0, 16 bytes long.
 Data: <&#224; t3&#246;           > E0 02 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025FAD261820, 16 bytes long.
 Data: <  t3&#246;           > 10 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025FAD2614B0, 16 bytes long.
 Data: <p t3&#246;           > 70 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025FAD261FF0, 16 bytes long.
 Data: < &#192;r3&#246;           > 18 C0 72 33 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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