Task 38665658

Name test_85-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8694_0
Workunit 31608734
Created 25 Oct 2026, 1:22:31 UTC
Sent 25 Oct 2026, 6:32:20 UTC
Report deadline 30 Oct 2026, 6:32:20 UTC
Received 25 Oct 2026, 7:14:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 38 min 6 sec
CPU time 35 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.52 MB
Peak swap size 9.84 GB
Peak disk usage 3.64 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:37:09 (15604): wrapper (7.9.26016): starting
02:37:09 (15604): 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
02:37:10 (15604): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:37:10 (15604): 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\4\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\4\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
03:14:27 (15604): C:/Windows/system32/cmd.exe exited; CPU time 2139.750000
03:14:27 (15604): 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: 34089837 bytes.
Dumping objects ->
{3835479} normal block at 0x0000028D6EFE4A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000028D6EFE48B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000028D6EFE4840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x0000028D6EFE4A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x0000028D6EFE4C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x0000028D70D74240, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000028D70D8DE30, 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) : {3835390} normal block at 0x0000028D6EFDF6A0, 8 bytes long.
 Data: <  =o    > 00 00 3D 6F 8D 02 00 00 
{3834663} normal block at 0x0000028D70D8E460, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000028D6EFDFD80, 8 bytes long.
 Data: < &#175; o    > 10 AF 00 6F 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000028D6EFE05C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028D6EFD6040, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000028D6EFE64D0, 16 bytes long.
 Data: < T&#254;n            > 88 54 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028D6EFE5DA0, 16 bytes long.
 Data: <`T&#254;n            > 60 54 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D6EFDED80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000028D6EFE56C0, 16 bytes long.
 Data: <8T&#254;n            > 38 54 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028D6EFE5C60, 16 bytes long.
 Data: < T&#254;n            > 10 54 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028D6EFE5F80, 16 bytes long.
 Data: <&#232;S&#254;n            > E8 53 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028D6EFE63E0, 16 bytes long.
 Data: <&#192;S&#254;n            > C0 53 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028D6EFE46F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000028D6EFE6340, 16 bytes long.
 Data: <&#168;&#241;&#252;n            > A8 F1 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028D6EFDEBA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000028D6EFE5BC0, 16 bytes long.
 Data: < &#241;&#252;n            > 80 F1 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028D6EFE5A30, 16 bytes long.
 Data: <X&#241;&#252;n            > 58 F1 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028D6EFE57B0, 16 bytes long.
 Data: <0&#241;&#252;n            > 30 F1 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028D6EFE58A0, 16 bytes long.
 Data: < &#241;&#252;n            > 08 F1 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028D6EFE6520, 16 bytes long.
 Data: <&#224;&#240;&#252;n            > E0 F0 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028D6EFE6480, 16 bytes long.
 Data: <&#184;&#240;&#252;n            > B8 F0 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028D6EFDF080, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{274} normal block at 0x0000028D6EFE5EE0, 16 bytes long.
 Data: < &#240;&#252;n            > 90 F0 FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028D6EFCF090, 320 bytes long.
 Data: <&#224;^&#254;n     &#240;&#253;n    > E0 5E FE 6E 8D 02 00 00 80 F0 FD 6E 8D 02 00 00 
{272} normal block at 0x0000028D6EFE6390, 16 bytes long.
 Data: <&#160;S&#254;n            > A0 53 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028D6EFE5850, 16 bytes long.
 Data: <xS&#254;n            > 78 53 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028D6EFDEB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000028D6EFE61B0, 16 bytes long.
 Data: <PS&#254;n            > 50 53 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028D6EFDE1E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000028D6EFE5D50, 16 bytes long.
 Data: < R&#254;n            > 98 52 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028D6EFE6430, 16 bytes long.
 Data: <pR&#254;n            > 70 52 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D6EFE62A0, 16 bytes long.
 Data: <HR&#254;n            > 48 52 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028D6EFE5D00, 16 bytes long.
 Data: < R&#254;n            > 20 52 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028D6EFE00F0, 16 bytes long.
 Data: <&#248;Q&#254;n            > F8 51 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028D6EFE0050, 16 bytes long.
 Data: <&#208;Q&#254;n            > D0 51 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028D6EFDFE20, 16 bytes long.
 Data: <&#160;L&#254;n            > A0 4C FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028D6EFE4CA0, 40 bytes long.
 Data: < &#254;&#253;n    @B&#215;p    > 20 FE FD 6E 8D 02 00 00 40 42 D7 70 8D 02 00 00 
{258} normal block at 0x0000028D6EFDFDD0, 16 bytes long.
 Data: <&#176;Q&#254;n            > B0 51 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028D6EFDFD30, 16 bytes long.
 Data: < Q&#254;n            > 88 51 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028D6EFDE2A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000028D6EFDFEC0, 16 bytes long.
 Data: <`Q&#254;n            > 60 51 FE 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028D6EFE5160, 992 bytes long.
 Data: <&#192;&#254;&#253;n    &#160;&#226;&#253;n    > C0 FE FD 6E 8D 02 00 00 A0 E2 FD 6E 8D 02 00 00 
{90} normal block at 0x0000028D6EFDE720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000028D6EFDF650, 16 bytes long.
 Data: < &#237;&#252;n            > 20 ED FC 6E 8D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000028D6EFCED20, 40 bytes long.
 Data: <P&#246;&#253;n     &#231;&#253;n    > 50 F6 FD 6E 8D 02 00 00 20 E7 FD 6E 8D 02 00 00 
{67} normal block at 0x0000028D6EFDF510, 16 bytes long.
 Data: < &#234;&#238;&#173;&#246;           > 80 EA EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028D6EFDF920, 16 bytes long.
 Data: <@&#233;&#238;&#173;&#246;           > 40 E9 EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028D6EFDFB50, 16 bytes long.
 Data: <&#248;W&#235;&#173;&#246;           > F8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028D6EFDF600, 16 bytes long.
 Data: <&#216;W&#235;&#173;&#246;           > D8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028D6EFDF6F0, 16 bytes long.
 Data: <P &#235;&#173;&#246;           > 50 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028D6EFDF470, 16 bytes long.
 Data: <0 &#235;&#173;&#246;           > 30 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028D6EFDF880, 16 bytes long.
 Data: <&#224; &#235;&#173;&#246;           > E0 02 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028D6EFDF4C0, 16 bytes long.
 Data: <  &#235;&#173;&#246;           > 10 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028D6EFDF5B0, 16 bytes long.
 Data: <p &#235;&#173;&#246;           > 70 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028D6EFDF290, 16 bytes long.
 Data: < &#192;&#233;&#173;&#246;           > 18 C0 E9 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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