Task 38658132

Name test_320-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND8672_1
Workunit 31601579
Created 24 Oct 2026, 12:22:20 UTC
Sent 24 Oct 2026, 12:28:52 UTC
Report deadline 29 Oct 2026, 12:28:52 UTC
Received 24 Oct 2026, 13:03:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 20 sec
CPU time 30 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.54 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:30:44 (9580): wrapper (7.9.26016): starting
14:30:44 (9580): 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
14:30:46 (9580): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:30:46 (9580): 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\6\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\6\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
15:02:39 (9580): C:/Windows/system32/cmd.exe exited; CPU time 1841.515625
15:02:39 (9580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25494787 bytes.
Dumping objects ->
{3835311} normal block at 0x000001F02167A500, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001F0216799A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001F021654B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001F0216549B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001F021654940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001F02345A8C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001F0216B96A0, 141 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) : {3835222} normal block at 0x000001F02164EC90, 8 bytes long.
 Data: <   #&#240;   > 00 00 1C 23 F0 01 00 00 
{3834575} normal block at 0x000001F0216B9EC0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001F02164F000, 8 bytes long.
 Data: <&#176;GN#&#240;   > B0 47 4E 23 F0 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F021650990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F0216466D0, 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 0x000001F021655FA0, 16 bytes long.
 Data: < fe!&#240;           > 08 66 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F021655EB0, 16 bytes long.
 Data: <&#224;ee!&#240;           > E0 65 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F02164FA60, 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 0x000001F021655CD0, 16 bytes long.
 Data: <&#184;ee!&#240;           > B8 65 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F021655640, 16 bytes long.
 Data: < ee!&#240;           > 90 65 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F021655E60, 16 bytes long.
 Data: <hee!&#240;           > 68 65 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F0216560E0, 16 bytes long.
 Data: <@ee!&#240;           > 40 65 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F021654BE0, 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 0x000001F021655730, 16 bytes long.
 Data: < &#142;d!&#240;           > 08 8E 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F02164F880, 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 0x000001F021656180, 16 bytes long.
 Data: <&#224; d!&#240;           > E0 8D 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F021656090, 16 bytes long.
 Data: <&#184; d!&#240;           > B8 8D 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F021655370, 16 bytes long.
 Data: <  d!&#240;           > 90 8D 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F021656040, 16 bytes long.
 Data: <h d!&#240;           > 68 8D 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F021656220, 16 bytes long.
 Data: <@ d!&#240;           > 40 8D 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F021655960, 16 bytes long.
 Data: <  d!&#240;           > 18 8D 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F02164F8E0, 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 0x000001F021655F00, 16 bytes long.
 Data: <&#240;&#140;d!&#240;           > F0 8C 64 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F021648CF0, 320 bytes long.
 Data: < _e!&#240;   &#224;&#248;d!&#240;   > 00 5F 65 21 F0 01 00 00 E0 F8 64 21 F0 01 00 00 
{274} normal block at 0x000001F0216555F0, 16 bytes long.
 Data: < ee!&#240;           > 20 65 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F021655AF0, 16 bytes long.
 Data: <&#248;de!&#240;           > F8 64 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F02164F640, 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 0x000001F0216556E0, 16 bytes long.
 Data: <&#208;de!&#240;           > D0 64 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F02164F940, 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 0x000001F021655E10, 16 bytes long.
 Data: < de!&#240;           > 18 64 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F021655F50, 16 bytes long.
 Data: <&#240;ce!&#240;           > F0 63 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F021655460, 16 bytes long.
 Data: <&#200;ce!&#240;           > C8 63 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F021655DC0, 16 bytes long.
 Data: <&#160;ce!&#240;           > A0 63 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F021655FF0, 16 bytes long.
 Data: <xce!&#240;           > 78 63 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F0216555A0, 16 bytes long.
 Data: <Pce!&#240;           > 50 63 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F021655870, 16 bytes long.
 Data: < Je!&#240;           > 90 4A 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F021654A90, 40 bytes long.
 Data: <pXe!&#240;   &#192;&#168;E#&#240;   > 70 58 65 21 F0 01 00 00 C0 A8 45 23 F0 01 00 00 
{260} normal block at 0x000001F0216561D0, 16 bytes long.
 Data: <0ce!&#240;           > 30 63 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F021655A00, 16 bytes long.
 Data: < ce!&#240;           > 08 63 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F02164FE20, 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 0x000001F021655D70, 16 bytes long.
 Data: <&#224;be!&#240;           > E0 62 65 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F0216562E0, 992 bytes long.
 Data: <p]e!&#240;    &#254;d!&#240;   > 70 5D 65 21 F0 01 00 00 20 FE 64 21 F0 01 00 00 
{92} normal block at 0x000001F02164FAC0, 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 0x000001F02164ED80, 16 bytes long.
 Data: <&#160;&#210;c!&#240;           > A0 D2 63 21 F0 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F02163D2A0, 40 bytes long.
 Data: < &#237;d!&#240;   &#192;&#250;d!&#240;   > 80 ED 64 21 F0 01 00 00 C0 FA 64 21 F0 01 00 00 
{69} normal block at 0x000001F02164EB00, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F02164E600, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F02164F1E0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F02164E830, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F02164E560, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F02164EAB0, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F02164E380, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F02164EA60, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F02164E510, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F02164EF10, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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