Task 38656410

Name test_230-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND3376_0
Workunit 31600138
Created 24 Oct 2026, 10:36:18 UTC
Sent 24 Oct 2026, 10:36:47 UTC
Report deadline 29 Oct 2026, 10:36:47 UTC
Received 24 Oct 2026, 12:17:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654477
Run time 41 min 51 sec
CPU time 38 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.56 MB
Peak swap size 6.75 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:35:50 (14376): wrapper (7.9.26016): starting
13:35:50 (14376): 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
13:35:54 (14376): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:35:54 (14376): 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\8\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\8\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
14:15:50 (14376): C:/Windows/system32/cmd.exe exited; CPU time 2307.234375
14:15:50 (14376): 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: 50097631 bytes.
Dumping objects ->
{3835270} normal block at 0x000001ED19083270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001ED19083430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001ED190348B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001ED190347D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001ED19034680, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001ED1AD7AB40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001ED1AD8EC00, 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) : {3835181} normal block at 0x000001ED1902F0D0, 8 bytes long.
 Data: <  N &#237;   > 00 00 4E 19 ED 01 00 00 
{3834562} normal block at 0x000001ED1AD8E260, 102 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 0x000001ED1902F080, 8 bytes long.
 Data: < 6&#221; &#237;   > 10 36 DD 1A ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001ED19031370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED1901F260, 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 0x000001ED19035BD0, 16 bytes long.
 Data: < e  &#237;           > 08 65 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ED19035540, 16 bytes long.
 Data: <&#224;d  &#237;           > E0 64 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED19030460, 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 0x000001ED19035F40, 16 bytes long.
 Data: <&#184;d  &#237;           > B8 64 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED190354F0, 16 bytes long.
 Data: < d  &#237;           > 90 64 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED19035EF0, 16 bytes long.
 Data: <hd  &#237;           > 68 64 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ED19035450, 16 bytes long.
 Data: <@d  &#237;           > 40 64 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED19034920, 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 0x000001ED19035630, 16 bytes long.
 Data: <&#200;   &#237;           > C8 8D 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED190303A0, 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 0x000001ED19035EA0, 16 bytes long.
 Data: <&#160;   &#237;           > A0 8D 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED19035310, 16 bytes long.
 Data: <x   &#237;           > 78 8D 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED190354A0, 16 bytes long.
 Data: <P   &#237;           > 50 8D 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED19036120, 16 bytes long.
 Data: <(   &#237;           > 28 8D 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED19035E00, 16 bytes long.
 Data: <    &#237;           > 00 8D 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED19035720, 16 bytes long.
 Data: <&#216;&#140;  &#237;           > D8 8C 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED1902FE00, 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 0x000001ED190359F0, 16 bytes long.
 Data: <&#176;&#140;  &#237;           > B0 8C 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED19028CB0, 320 bytes long.
 Data: <&#240;Y  &#237;    &#254;  &#237;   > F0 59 03 19 ED 01 00 00 00 FE 02 19 ED 01 00 00 
{274} normal block at 0x000001ED190355E0, 16 bytes long.
 Data: < d  &#237;           > 20 64 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED19035E50, 16 bytes long.
 Data: <&#248;c  &#237;           > F8 63 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED1902F920, 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 0x000001ED19035B80, 16 bytes long.
 Data: <&#208;c  &#237;           > D0 63 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED1902F980, 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 0x000001ED19036030, 16 bytes long.
 Data: < c  &#237;           > 18 63 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED19035F90, 16 bytes long.
 Data: <&#240;b  &#237;           > F0 62 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED190359A0, 16 bytes long.
 Data: <&#200;b  &#237;           > C8 62 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED19035C20, 16 bytes long.
 Data: <&#160;b  &#237;           > A0 62 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ED19035B30, 16 bytes long.
 Data: <xb  &#237;           > 78 62 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED19035900, 16 bytes long.
 Data: <Pb  &#237;           > 50 62 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED19035A40, 16 bytes long.
 Data: <PK  &#237;           > 50 4B 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED19034B50, 40 bytes long.
 Data: <@Z  &#237;   @&#171;&#215; &#237;   > 40 5A 03 19 ED 01 00 00 40 AB D7 1A ED 01 00 00 
{260} normal block at 0x000001ED19035400, 16 bytes long.
 Data: <0b  &#237;           > 30 62 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ED19036080, 16 bytes long.
 Data: < b  &#237;           > 08 62 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED1902FC20, 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 0x000001ED190360D0, 16 bytes long.
 Data: <&#224;a  &#237;           > E0 61 03 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ED190361E0, 992 bytes long.
 Data: <&#208;`  &#237;    &#252;  &#237;   > D0 60 03 19 ED 01 00 00 20 FC 02 19 ED 01 00 00 
{92} normal block at 0x000001ED19030100, 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 0x000001ED1902ED60, 16 bytes long.
 Data: <    &#237;           > 80 02 02 19 ED 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001ED19020280, 40 bytes long.
 Data: <`&#237;  &#237;       &#237;   > 60 ED 02 19 ED 01 00 00 00 01 03 19 ED 01 00 00 
{69} normal block at 0x000001ED1902F350, 16 bytes long.
 Data: < &#234;k!&#246;           > 80 EA 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ED1902EFE0, 16 bytes long.
 Data: <@&#233;k!&#246;           > 40 E9 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ED1902F580, 16 bytes long.
 Data: <&#248;Wh!&#246;           > F8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ED1902F3F0, 16 bytes long.
 Data: <&#216;Wh!&#246;           > D8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED1902EEA0, 16 bytes long.
 Data: <P h!&#246;           > 50 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED1902EB30, 16 bytes long.
 Data: <0 h!&#246;           > 30 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED1902E860, 16 bytes long.
 Data: <&#224; h!&#246;           > E0 02 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED1902EBD0, 16 bytes long.
 Data: <  h!&#246;           > 10 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED1902EF90, 16 bytes long.
 Data: <p h!&#246;           > 70 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED1902E9A0, 16 bytes long.
 Data: < &#192;f!&#246;           > 18 C0 66 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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