Task 38684254

Name test_110-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7511_0
Workunit 31625774
Created 27 Oct 2026, 15:27:32 UTC
Sent 27 Oct 2026, 15:27:36 UTC
Report deadline 1 Nov 2026, 15:27:36 UTC
Received 27 Oct 2026, 16:03:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 55 sec
CPU time 27 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.14 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:34:07 (23948): wrapper (7.9.26016): starting
15:34:07 (23948): 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
15:34:08 (23948): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:34:08 (23948): 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\1\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\1\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
16:02:55 (23948): C:/Windows/system32/cmd.exe exited; CPU time 1643.781250
16:02:55 (23948): 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: 26403815 bytes.
Dumping objects ->
{3835306} normal block at 0x0000024B1AD5CAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000024B191249C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x0000024B19124950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x0000024B191244F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x0000024B191248E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x0000024B1ADA76D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000024B1ADBE5D0, 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) : {3835217} normal block at 0x0000024B1911F890, 8 bytes long.
 Data: <    K   > 00 00 0D 19 4B 02 00 00 
{3834571} normal block at 0x0000024B1ADBE520, 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 0x0000024B1911FB10, 8 bytes long.
 Data: <&#160;I&#213; K   > A0 49 D5 1A 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024B19121390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024B19115E40, 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 0x0000024B19126000, 16 bytes long.
 Data: <&#232;c  K           > E8 63 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024B19125AB0, 16 bytes long.
 Data: <&#192;c  K           > C0 63 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024B1911F330, 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 0x0000024B19125830, 16 bytes long.
 Data: < c  K           > 98 63 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024B19125970, 16 bytes long.
 Data: <pc  K           > 70 63 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024B19125240, 16 bytes long.
 Data: <Hc  K           > 48 63 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024B19125920, 16 bytes long.
 Data: < c  K           > 20 63 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024B19124720, 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 0x0000024B191251F0, 16 bytes long.
 Data: <    K           > 08 8F 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024B1911EFD0, 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 0x0000024B19125790, 16 bytes long.
 Data: <&#224;&#142;  K           > E0 8E 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024B191256F0, 16 bytes long.
 Data: <&#184;&#142;  K           > B8 8E 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024B19125600, 16 bytes long.
 Data: < &#142;  K           > 90 8E 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024B19125740, 16 bytes long.
 Data: <h&#142;  K           > 68 8E 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024B19125470, 16 bytes long.
 Data: <@&#142;  K           > 40 8E 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024B19125330, 16 bytes long.
 Data: < &#142;  K           > 18 8E 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024B1911E6D0, 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 0x0000024B191254C0, 16 bytes long.
 Data: <&#240;   K           > F0 8D 11 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024B19118DF0, 320 bytes long.
 Data: <&#192;T  K   &#208;&#230;  K   > C0 54 12 19 4B 02 00 00 D0 E6 11 19 4B 02 00 00 
{274} normal block at 0x0000024B191256A0, 16 bytes long.
 Data: < c  K           > 00 63 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024B191255B0, 16 bytes long.
 Data: <&#216;b  K           > D8 62 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024B1911E910, 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 0x0000024B19125560, 16 bytes long.
 Data: <&#176;b  K           > B0 62 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024B1911F150, 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 0x0000024B19125510, 16 bytes long.
 Data: <&#248;a  K           > F8 61 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024B191252E0, 16 bytes long.
 Data: <&#208;a  K           > D0 61 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024B191251A0, 16 bytes long.
 Data: <&#168;a  K           > A8 61 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024B19125FB0, 16 bytes long.
 Data: < a  K           > 80 61 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024B19125A60, 16 bytes long.
 Data: <Xa  K           > 58 61 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024B19125420, 16 bytes long.
 Data: <0a  K           > 30 61 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024B191253D0, 16 bytes long.
 Data: <&#240;K  K           > F0 4B 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024B19124BF0, 40 bytes long.
 Data: <&#208;S  K   &#208;v&#218; K   > D0 53 12 19 4B 02 00 00 D0 76 DA 1A 4B 02 00 00 
{260} normal block at 0x0000024B19125B50, 16 bytes long.
 Data: < a  K           > 10 61 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024B19125650, 16 bytes long.
 Data: <&#232;`  K           > E8 60 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024B1911F270, 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 0x0000024B191257E0, 16 bytes long.
 Data: <&#192;`  K           > C0 60 12 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024B191260C0, 992 bytes long.
 Data: <&#224;W  K   p&#242;  K   > E0 57 12 19 4B 02 00 00 70 F2 11 19 4B 02 00 00 
{92} normal block at 0x0000024B1911EF70, 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 0x0000024B1911FE30, 16 bytes long.
 Data: <`&#228;  K           > 60 E4 10 19 4B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024B1910E460, 40 bytes long.
 Data: <0&#254;  K   p&#239;  K   > 30 FE 11 19 4B 02 00 00 70 EF 11 19 4B 02 00 00 
{69} normal block at 0x0000024B1911FA20, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024B19120290, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024B191200B0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024B19120060, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024B191203D0, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024B1911FF20, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024B1911F9D0, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024B19120470, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024B19120150, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024B1911FF70, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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