Task 38684366

Name test_266-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3525_0
Workunit 31625881
Created 27 Oct 2026, 15:59:36 UTC
Sent 27 Oct 2026, 15:59:44 UTC
Report deadline 1 Nov 2026, 15:59:44 UTC
Received 27 Oct 2026, 16:29:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 25 min 15 sec
CPU time 22 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.27 MB
Peak swap size 10.00 GB
Peak disk usage 3.39 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:05:06 (32572): wrapper (7.9.26016): starting
17:05:06 (32572): 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
17:05:07 (32572): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:05:07 (32572): 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\10\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\10\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: Exiting with failure status due to previous errors
17:28:49 (32572): C:/Windows/system32/cmd.exe exited; CPU time 1329.500000
17:28:49 (32572): 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: 27999131 bytes.
Dumping objects ->
{3835202} normal block at 0x000002190663D840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002190663DBC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x000002190663D680, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x000002190663D3E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x00000219049C47B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x00000219066854F0, 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) : {3835114} normal block at 0x00000219049BF540, 8 bytes long.
 Data: <        > 00 00 99 04 19 02 00 00 
{3833965} normal block at 0x00000219049BF130, 8 bytes long.
 Data: <0=q     > 30 3D 71 06 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000219049C0D70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000219049B6320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000219049C6870, 16 bytes long.
 Data: <&#200;X&#156;             > C8 58 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000219049C5F10, 16 bytes long.
 Data: <&#160;X&#156;             > A0 58 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000219049BE060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000219049C66E0, 16 bytes long.
 Data: <xX&#156;             > 78 58 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000219049C6000, 16 bytes long.
 Data: <PX&#156;             > 50 58 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000219049C60F0, 16 bytes long.
 Data: <(X&#156;             > 28 58 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219049C64B0, 16 bytes long.
 Data: < X&#156;             > 00 58 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000219049C4BA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000219049C5DD0, 16 bytes long.
 Data: <&#200;&#240;&#154;             > C8 F0 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000219049BDC40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000219049C5C90, 16 bytes long.
 Data: <&#160;&#240;&#154;             > A0 F0 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000219049C6370, 16 bytes long.
 Data: <x&#240;&#154;             > 78 F0 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000219049C5BF0, 16 bytes long.
 Data: <P&#240;&#154;             > 50 F0 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000219049C5B00, 16 bytes long.
 Data: <(&#240;&#154;             > 28 F0 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000219049C5BA0, 16 bytes long.
 Data: < &#240;&#154;             > 00 F0 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219049C6640, 16 bytes long.
 Data: <&#216;&#239;&#154;             > D8 EF 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219049BDB20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000219049C6050, 16 bytes long.
 Data: <&#176;&#239;&#154;             > B0 EF 9A 04 19 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000219049AEFB0, 320 bytes long.
 Data: <P`&#156;      &#219;&#155;     > 50 60 9C 04 19 02 00 00 20 DB 9B 04 19 02 00 00 
{278} normal block at 0x00000219049C5B50, 16 bytes long.
 Data: <&#224;W&#156;             > E0 57 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000219049C6960, 16 bytes long.
 Data: <&#184;W&#156;             > B8 57 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000219049BD7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000219049C65F0, 16 bytes long.
 Data: < W&#156;             > 90 57 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000219049BDA60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000219049C5AB0, 16 bytes long.
 Data: <&#216;V&#156;             > D8 56 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000219049C6410, 16 bytes long.
 Data: <&#176;V&#156;             > B0 56 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000219049C67D0, 16 bytes long.
 Data: < V&#156;             > 88 56 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000219049C5C40, 16 bytes long.
 Data: <`V&#156;             > 60 56 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219049C6320, 16 bytes long.
 Data: <8V&#156;             > 38 56 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000219049BF270, 16 bytes long.
 Data: < V&#156;             > 10 56 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000219049BF450, 16 bytes long.
 Data: < L&#156;             > 80 4C 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000219049C4C80, 40 bytes long.
 Data: <P&#244;&#155;     &#240;Th     > 50 F4 9B 04 19 02 00 00 F0 54 68 06 19 02 00 00 
{264} normal block at 0x00000219049BF1D0, 16 bytes long.
 Data: <&#240;U&#156;             > F0 55 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000219049BF0E0, 16 bytes long.
 Data: <&#200;U&#156;             > C8 55 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000219049BDCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000219049BF090, 16 bytes long.
 Data: <&#160;U&#156;             > A0 55 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000219049C55A0, 992 bytes long.
 Data: < &#240;&#155;     &#160;&#220;&#155;     > 90 F0 9B 04 19 02 00 00 A0 DC 9B 04 19 02 00 00 
{96} normal block at 0x00000219049BD2E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000219049BF4F0, 16 bytes long.
 Data: <0K&#156;             > 30 4B 9C 04 19 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000219049C4B30, 40 bytes long.
 Data: <&#240;&#244;&#155;     &#224;&#210;&#155;     > F0 F4 9B 04 19 02 00 00 E0 D2 9B 04 19 02 00 00 
{73} normal block at 0x00000219049BEC30, 16 bytes long.
 Data: < &#234;&#148;I&#247;           > 80 EA 94 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000219049BF6D0, 16 bytes long.
 Data: <@&#233;&#148;I&#247;           > 40 E9 94 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000219049BF7C0, 16 bytes long.
 Data: <&#248;W&#145;I&#247;           > F8 57 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000219049BF950, 16 bytes long.
 Data: <&#216;W&#145;I&#247;           > D8 57 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219049BF770, 16 bytes long.
 Data: <P &#145;I&#247;           > 50 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219049BF680, 16 bytes long.
 Data: <0 &#145;I&#247;           > 30 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219049BED70, 16 bytes long.
 Data: <&#224; &#145;I&#247;           > E0 02 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219049BF5E0, 16 bytes long.
 Data: <  &#145;I&#247;           > 10 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219049BF860, 16 bytes long.
 Data: <p &#145;I&#247;           > 70 04 91 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219049BF720, 16 bytes long.
 Data: < &#192; I&#247;           > 18 C0 8F 49 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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