Task 38676073

Name test_990-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2116_0
Workunit 31618009
Created 26 Oct 2026, 10:10:58 UTC
Sent 26 Oct 2026, 10:11:03 UTC
Report deadline 31 Oct 2026, 10:11:03 UTC
Received 26 Oct 2026, 10:33:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 185928
Run time 21 min 51 sec
CPU time 20 min 34 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 741.80 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:12:07 (61064): wrapper (7.9.26016): starting
06:12:07 (61064): 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
06:12:08 (61064): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:12:08 (61064): 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\21\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\21\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
06:33:07 (61064): C:/Windows/system32/cmd.exe exited; CPU time 1234.750000
06:33:07 (61064): 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: 26961405 bytes.
Dumping objects ->
{3835574} normal block at 0x000001A5F0AC0E60, 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 0x000001A5F0C085E0, 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 0x000001A5F0C08580, 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 0x000001A5F0C09360, 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 0x000001A5F0C08820, 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 0x000001A5F0AC13A0, 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 0x000001A5EEE30A80, 8 bytes long.
 Data: <  -&#239;&#165;   > 00 00 2D EF A5 01 00 00 
{3833957} normal block at 0x000001A5EEE2FE00, 8 bytes long.
 Data: < &#197;&#196;&#240;&#165;   > 10 C5 C4 F0 A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A5EEE32F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A5EEE2ABF0, 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 0x000001A5EEE3DB00, 16 bytes long.
 Data: <H&#237;&#227;&#238;&#165;           > 48 ED E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A5EEE3E3C0, 16 bytes long.
 Data: < &#237;&#227;&#238;&#165;           > 20 ED E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A5EEE3A7B0, 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 0x000001A5EEE3E500, 16 bytes long.
 Data: <&#248;&#236;&#227;&#238;&#165;           > F8 EC E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A5EEE3E370, 16 bytes long.
 Data: <&#208;&#236;&#227;&#238;&#165;           > D0 EC E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A5EEE3E690, 16 bytes long.
 Data: <&#168;&#236;&#227;&#238;&#165;           > A8 EC E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A5EEE3E320, 16 bytes long.
 Data: < &#236;&#227;&#238;&#165;           > 80 EC E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A5EEE38060, 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 0x000001A5EEE3E280, 16 bytes long.
 Data: <&#248;&#150;&#227;&#238;&#165;           > F8 96 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A5EEE3AED0, 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 0x000001A5EEE3DC90, 16 bytes long.
 Data: <&#208;&#150;&#227;&#238;&#165;           > D0 96 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A5EEE3E0A0, 16 bytes long.
 Data: <&#168;&#150;&#227;&#238;&#165;           > A8 96 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A5EEE3E8C0, 16 bytes long.
 Data: < &#150;&#227;&#238;&#165;           > 80 96 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A5EEE3E2D0, 16 bytes long.
 Data: <X&#150;&#227;&#238;&#165;           > 58 96 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A5EEE3E190, 16 bytes long.
 Data: <0&#150;&#227;&#238;&#165;           > 30 96 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A5EEE3E5F0, 16 bytes long.
 Data: < &#150;&#227;&#238;&#165;           > 08 96 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A5EEE3A9F0, 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 0x000001A5EEE3E870, 16 bytes long.
 Data: <&#224;&#149;&#227;&#238;&#165;           > E0 95 E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A5EEE395E0, 320 bytes long.
 Data: <p&#232;&#227;&#238;&#165;   &#240;&#169;&#227;&#238;&#165;   > 70 E8 E3 EE A5 01 00 00 F0 A9 E3 EE A5 01 00 00 
{274} normal block at 0x000001A5EEE3DEC0, 16 bytes long.
 Data: <`&#236;&#227;&#238;&#165;           > 60 EC E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A5EEE3E050, 16 bytes long.
 Data: <8&#236;&#227;&#238;&#165;           > 38 EC E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A5EEE3B530, 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 0x000001A5EEE3E230, 16 bytes long.
 Data: < &#236;&#227;&#238;&#165;           > 10 EC E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A5EEE3B110, 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 0x000001A5EEE3DE70, 16 bytes long.
 Data: <X&#235;&#227;&#238;&#165;           > 58 EB E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A5EEE3E730, 16 bytes long.
 Data: <0&#235;&#227;&#238;&#165;           > 30 EB E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A5EEE3E1E0, 16 bytes long.
 Data: < &#235;&#227;&#238;&#165;           > 08 EB E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A5EEE3DAB0, 16 bytes long.
 Data: <&#224;&#234;&#227;&#238;&#165;           > E0 EA E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A5EEE3DD80, 16 bytes long.
 Data: <&#184;&#234;&#227;&#238;&#165;           > B8 EA E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A5EEE3DE20, 16 bytes long.
 Data: < &#234;&#227;&#238;&#165;           > 90 EA E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A5EEE3DD30, 16 bytes long.
 Data: <&#240; &#227;&#238;&#165;           > F0 7F E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A5EEE37FF0, 40 bytes long.
 Data: <0&#221;&#227;&#238;&#165;   &#160; &#172;&#240;&#165;   > 30 DD E3 EE A5 01 00 00 A0 13 AC F0 A5 01 00 00 
{260} normal block at 0x000001A5EEE3E820, 16 bytes long.
 Data: <p&#234;&#227;&#238;&#165;           > 70 EA E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A5EEE3E140, 16 bytes long.
 Data: <H&#234;&#227;&#238;&#165;           > 48 EA E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A5EEE3AA50, 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 0x000001A5EEE3DA60, 16 bytes long.
 Data: < &#234;&#227;&#238;&#165;           > 20 EA E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A5EEE3EA20, 992 bytes long.
 Data: <`&#218;&#227;&#238;&#165;   P&#170;&#227;&#238;&#165;   > 60 DA E3 EE A5 01 00 00 50 AA E3 EE A5 01 00 00 
{92} normal block at 0x000001A5EEE3A8D0, 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 0x000001A5EEE303A0, 16 bytes long.
 Data: <  &#227;&#238;&#165;           > 10 7F E3 EE A5 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001A5EEE37F10, 40 bytes long.
 Data: <&#160; &#227;&#238;&#165;   &#208;&#168;&#227;&#238;&#165;   > A0 03 E3 EE A5 01 00 00 D0 A8 E3 EE A5 01 00 00 
{69} normal block at 0x000001A5EEE30620, 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 0x000001A5EEE302B0, 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 0x000001A5EEE2FEA0, 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 0x000001A5EEE30D50, 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 0x000001A5EEE30210, 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 0x000001A5EEE30530, 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 0x000001A5EEE30D00, 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 0x000001A5EEE30850, 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 0x000001A5EEE301C0, 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 0x000001A5EEE30170, 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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