Task 38657718

Name test_910-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND2631_1
Workunit 31598185
Created 24 Oct 2026, 11:57:08 UTC
Sent 24 Oct 2026, 12:04:44 UTC
Report deadline 29 Oct 2026, 12:04:44 UTC
Received 24 Oct 2026, 13:33:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654886
Run time 23 min 3 sec
CPU time 20 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.59 MB
Peak swap size 5.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:10:04 (16752): wrapper (7.9.26016): starting
14:10:04 (16752): 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
14:10:05 (16752): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:10:05 (16752): 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
14:32:13 (16752): C:/Windows/system32/cmd.exe exited; CPU time 1229.828125
14:32:13 (16752): 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: 19385291 bytes.
Dumping objects ->
{3835235} normal block at 0x000001EE46524960, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001EE465247A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001EE46524880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000001EE46524730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001EE465246C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000001EE481A3780, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001EE481AE9B0, 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) : {3835146} normal block at 0x000001EE46519D50, 8 bytes long.
 Data: <  &#169;F&#238;   > 00 00 A9 46 EE 01 00 00 
{3834547} normal block at 0x000001EE481AE900, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001EE4651A4D0, 8 bytes long.
 Data: < 6 H&#238;   > 80 36 1F 48 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001EE4651FC80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001EE46515B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001EE46525900, 16 bytes long.
 Data: <HaRF&#238;           > 48 61 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EE465250E0, 16 bytes long.
 Data: < aRF&#238;           > 20 61 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EE4651E590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001EE46525720, 16 bytes long.
 Data: <&#248;`RF&#238;           > F8 60 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EE46524EB0, 16 bytes long.
 Data: <&#208;`RF&#238;           > D0 60 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EE46524FA0, 16 bytes long.
 Data: <&#168;`RF&#238;           > A8 60 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE465253B0, 16 bytes long.
 Data: < `RF&#238;           > 80 60 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EE46524650, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001EE465259A0, 16 bytes long.
 Data: <&#232;DRF&#238;           > E8 44 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE4651DE10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001EE46525B80, 16 bytes long.
 Data: <&#192;DRF&#238;           > C0 44 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EE46525B30, 16 bytes long.
 Data: < DRF&#238;           > 98 44 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE46525090, 16 bytes long.
 Data: <pDRF&#238;           > 70 44 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE46525130, 16 bytes long.
 Data: <HDRF&#238;           > 48 44 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EE46525450, 16 bytes long.
 Data: < DRF&#238;           > 20 44 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE46525DB0, 16 bytes long.
 Data: <&#248;CRF&#238;           > F8 43 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE4651DD50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001EE46525D10, 16 bytes long.
 Data: <&#208;CRF&#238;           > D0 43 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE465243D0, 320 bytes long.
 Data: < ]RF&#238;   P&#221;QF&#238;   > 10 5D 52 46 EE 01 00 00 50 DD 51 46 EE 01 00 00 
{280} normal block at 0x000001EE46524F50, 16 bytes long.
 Data: <``RF&#238;           > 60 60 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE465259F0, 16 bytes long.
 Data: <8`RF&#238;           > 38 60 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EE4651E770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001EE46525CC0, 16 bytes long.
 Data: < `RF&#238;           > 10 60 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE4651E3B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001EE465256D0, 16 bytes long.
 Data: <X_RF&#238;           > 58 5F 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE46524E60, 16 bytes long.
 Data: <0_RF&#238;           > 30 5F 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EE46525590, 16 bytes long.
 Data: < _RF&#238;           > 08 5F 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE46525360, 16 bytes long.
 Data: <&#224;^RF&#238;           > E0 5E 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EE46525400, 16 bytes long.
 Data: <&#184;^RF&#238;           > B8 5E 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EE46525680, 16 bytes long.
 Data: < ^RF&#238;           > 90 5E 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE465258B0, 16 bytes long.
 Data: <&#208;IRF&#238;           > D0 49 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE465249D0, 40 bytes long.
 Data: <&#176;XRF&#238;    7 H&#238;   > B0 58 52 46 EE 01 00 00 80 37 1A 48 EE 01 00 00 
{266} normal block at 0x000001EE465255E0, 16 bytes long.
 Data: <p^RF&#238;           > 70 5E 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE46525C70, 16 bytes long.
 Data: <H^RF&#238;           > 48 5E 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE4651E9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001EE46525310, 16 bytes long.
 Data: < ^RF&#238;           > 20 5E 52 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE46525E20, 992 bytes long.
 Data: < SRF&#238;   &#176;&#233;QF&#238;   > 10 53 52 46 EE 01 00 00 B0 E9 51 46 EE 01 00 00 
{98} normal block at 0x000001EE4651E950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001EE4651A890, 16 bytes long.
 Data: <P&#214;PF&#238;           > 50 D6 50 46 EE 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001EE4650D650, 40 bytes long.
 Data: < &#168;QF&#238;   P&#233;QF&#238;   > 90 A8 51 46 EE 01 00 00 50 E9 51 46 EE 01 00 00 
{75} normal block at 0x000001EE46519C10, 16 bytes long.
 Data: < &#234;&#195;i&#247;           > 80 EA C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001EE46519FD0, 16 bytes long.
 Data: <@&#233;&#195;i&#247;           > 40 E9 C3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EE4651A340, 16 bytes long.
 Data: <&#248;W&#192;i&#247;           > F8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EE4651A020, 16 bytes long.
 Data: <&#216;W&#192;i&#247;           > D8 57 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EE4651A390, 16 bytes long.
 Data: <P &#192;i&#247;           > 50 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EE4651A6B0, 16 bytes long.
 Data: <0 &#192;i&#247;           > 30 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE4651A660, 16 bytes long.
 Data: <&#224; &#192;i&#247;           > E0 02 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE46519F80, 16 bytes long.
 Data: <  &#192;i&#247;           > 10 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE4651A8E0, 16 bytes long.
 Data: <p &#192;i&#247;           > 70 04 C0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE4651A520, 16 bytes long.
 Data: < &#192;&#190;i&#247;           > 18 C0 BE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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