Task 38649676

Name test_251-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND8678_0
Workunit 31594274
Created 23 Oct 2026, 21:51:42 UTC
Sent 23 Oct 2026, 22:09:09 UTC
Report deadline 28 Oct 2026, 22:09:09 UTC
Received 24 Oct 2026, 0:24:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 17 min 44 sec
CPU time 17 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.77 MB
Peak swap size 5.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:05:07 (35788): wrapper (7.9.26016): starting
02:05:07 (35788): 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
02:05:09 (35788): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:05:09 (35788): 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
02:23:46 (35788): C:/Windows/system32/cmd.exe exited; CPU time 1064.703125
02:23:46 (35788): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 24628115 bytes.
Dumping objects ->
{3835256} normal block at 0x00000217A7DCC7A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000217A60E46F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x00000217A60E4680, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x00000217A60E4610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000217A60E45A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x00000217A7E141C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835168} normal block at 0x00000217A60DF530, 8 bytes long.
 Data: <  Q&#166;    > 00 00 51 A6 17 02 00 00 
{3833957} normal block at 0x00000217A60E02A0, 8 bytes long.
 Data: <&#192;7&#231;&#167;    > C0 37 E7 A7 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000217A60D6080, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000217A60D6E60, 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 0x00000217A60E58E0, 16 bytes long.
 Data: < d &#166;            > 18 64 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000217A60E5390, 16 bytes long.
 Data: <&#240;c &#166;            > F0 63 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000217A60E1110, 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 0x00000217A60E5B10, 16 bytes long.
 Data: <&#200;c &#166;            > C8 63 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000217A60E5160, 16 bytes long.
 Data: <&#160;c &#166;            > A0 63 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000217A60E5110, 16 bytes long.
 Data: <xc &#166;            > 78 63 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000217A60E53E0, 16 bytes long.
 Data: <Pc &#166;            > 50 63 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000217A60E4760, 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 0x00000217A60E5A20, 16 bytes long.
 Data: < &#158; &#166;            > 08 9E 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217A60E0A50, 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 0x00000217A60E54D0, 16 bytes long.
 Data: <&#224;  &#166;            > E0 9D 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217A60E5840, 16 bytes long.
 Data: <&#184;  &#166;            > B8 9D 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000217A60E5CF0, 16 bytes long.
 Data: <   &#166;            > 90 9D 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000217A60E5890, 16 bytes long.
 Data: <h  &#166;            > 68 9D 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000217A60E55C0, 16 bytes long.
 Data: <@  &#166;            > 40 9D 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000217A60E5430, 16 bytes long.
 Data: <   &#166;            > 18 9D 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000217A60E0930, 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 0x00000217A60E5250, 16 bytes long.
 Data: <&#240;&#156; &#166;            > F0 9C 0D A6 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000217A60D9CF0, 320 bytes long.
 Data: <PR &#166;    0	 &#166;    > 50 52 0E A6 17 02 00 00 30 09 0E A6 17 02 00 00 
{274} normal block at 0x00000217A60E52A0, 16 bytes long.
 Data: <0c &#166;            > 30 63 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000217A60E5AC0, 16 bytes long.
 Data: < c &#166;            > 08 63 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000217A60E1050, 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 0x00000217A60E5200, 16 bytes long.
 Data: <&#224;b &#166;            > E0 62 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000217A60E0510, 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 0x00000217A60E5070, 16 bytes long.
 Data: <(b &#166;            > 28 62 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000217A60E5020, 16 bytes long.
 Data: < b &#166;            > 00 62 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000217A60E50C0, 16 bytes long.
 Data: <&#216;a &#166;            > D8 61 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000217A60E57F0, 16 bytes long.
 Data: <&#176;a &#166;            > B0 61 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000217A60E5340, 16 bytes long.
 Data: < a &#166;            > 88 61 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000217A60E4FD0, 16 bytes long.
 Data: <`a &#166;            > 60 61 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000217A60E4F80, 16 bytes long.
 Data: <&#224;C &#166;            > E0 43 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000217A60E43E0, 40 bytes long.
 Data: < O &#166;    &#192;A&#225;&#167;    > 80 4F 0E A6 17 02 00 00 C0 41 E1 A7 17 02 00 00 
{260} normal block at 0x00000217A60E5E80, 16 bytes long.
 Data: <@a &#166;            > 40 61 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000217A60E52F0, 16 bytes long.
 Data: < a &#166;            > 18 61 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000217A60E0DB0, 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 0x00000217A60E5E30, 16 bytes long.
 Data: <&#240;` &#166;            > F0 60 0E A6 17 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000217A60E60F0, 992 bytes long.
 Data: <0^ &#166;    &#176;  &#166;    > 30 5E 0E A6 17 02 00 00 B0 0D 0E A6 17 02 00 00 
{92} normal block at 0x00000217A60E0D50, 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 0x00000217A60E0200, 16 bytes long.
 Data: <&#192;&#238; &#166;            > C0 EE 0C A6 17 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000217A60CEEC0, 40 bytes long.
 Data: <   &#166;    P  &#166;    > 00 02 0E A6 17 02 00 00 50 0D 0E A6 17 02 00 00 
{69} normal block at 0x00000217A60DFD50, 16 bytes long.
 Data: < &#234;0&#185;&#247;           > 80 EA 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000217A60E0020, 16 bytes long.
 Data: <@&#233;0&#185;&#247;           > 40 E9 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000217A60E0070, 16 bytes long.
 Data: <&#248;W-&#185;&#247;           > F8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000217A60DF710, 16 bytes long.
 Data: <&#216;W-&#185;&#247;           > D8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000217A60DFB70, 16 bytes long.
 Data: <P -&#185;&#247;           > 50 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000217A60DF850, 16 bytes long.
 Data: <0 -&#185;&#247;           > 30 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000217A60DFAD0, 16 bytes long.
 Data: <&#224; -&#185;&#247;           > E0 02 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000217A60DF6C0, 16 bytes long.
 Data: <  -&#185;&#247;           > 10 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000217A60E0340, 16 bytes long.
 Data: <p -&#185;&#247;           > 70 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000217A60E02F0, 16 bytes long.
 Data: < &#192;+&#185;&#247;           > 18 C0 2B B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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