Task 38682772

Name test_278-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8932_0
Workunit 31624367
Created 27 Oct 2026, 9:03:12 UTC
Sent 27 Oct 2026, 9:03:16 UTC
Report deadline 1 Nov 2026, 9:03:16 UTC
Received 27 Oct 2026, 9:59:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 39 min 41 sec
CPU time 35 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 822.64 MB
Peak swap size 9.25 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:21:34 (42856): wrapper (7.9.26016): starting
02:21:34 (42856): 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
02:21:35 (42856): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:21:35 (42856): 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
02:59:28 (42856): C:/Windows/system32/cmd.exe exited; CPU time 2140.953125
02:59:28 (42856): 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: 59122671 bytes.
Dumping objects ->
{3835516} normal block at 0x00000116295385C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x0000011629539190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x00000116295387F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x00000116276B5F40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000116276B5B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x00000116294E7C90, 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) : {3835428} normal block at 0x00000116276AE050, 8 bytes long.
 Data: <  &#202;'    > 00 00 CA 27 16 01 00 00 
{3833971} normal block at 0x00000116276AE5A0, 8 bytes long.
 Data: <&#176;QT)    > B0 51 54 29 16 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000116276B0270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000116276A70F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000116276B6ED0, 16 bytes long.
 Data: <&#248;xk'            > F8 78 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000116276B6700, 16 bytes long.
 Data: <&#208;xk'            > D0 78 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000116276B1160, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000116276B6CF0, 16 bytes long.
 Data: <&#168;xk'            > A8 78 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000116276B66B0, 16 bytes long.
 Data: < xk'            > 80 78 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000116276B6B10, 16 bytes long.
 Data: <Xxk'            > 58 78 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000116276B6BB0, 16 bytes long.
 Data: <0xk'            > 30 78 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000116276B5FB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000116276B6750, 16 bytes long.
 Data: <(&#254;i'            > 28 FE 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000116276B0800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000116276B7240, 16 bytes long.
 Data: < &#254;i'            > 00 FE 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000116276B6B60, 16 bytes long.
 Data: <&#216;&#253;i'            > D8 FD 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000116276B73D0, 16 bytes long.
 Data: <&#176;&#253;i'            > B0 FD 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000116276B67A0, 16 bytes long.
 Data: < &#253;i'            > 88 FD 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000116276B6AC0, 16 bytes long.
 Data: <`&#253;i'            > 60 FD 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000116276B6840, 16 bytes long.
 Data: <8&#253;i'            > 38 FD 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000116276B07A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000116276B7510, 16 bytes long.
 Data: < &#253;i'            > 10 FD 69 27 16 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001162769FD10, 320 bytes long.
 Data: < uk'    &#160; k'    > 10 75 6B 27 16 01 00 00 A0 07 6B 27 16 01 00 00 
{281} normal block at 0x00000116276B72E0, 16 bytes long.
 Data: < xk'            > 10 78 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000116276B6A70, 16 bytes long.
 Data: <&#232;wk'            > E8 77 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000116276B0920, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000116276B6930, 16 bytes long.
 Data: <&#192;wk'            > C0 77 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000116276B0740, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000116276B6DE0, 16 bytes long.
 Data: < wk'            > 08 77 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000116276B69D0, 16 bytes long.
 Data: <&#224;vk'            > E0 76 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000116276B6C00, 16 bytes long.
 Data: <&#184;vk'            > B8 76 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000116276B6C50, 16 bytes long.
 Data: < vk'            > 90 76 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000116276B6890, 16 bytes long.
 Data: <hvk'            > 68 76 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000116276B7290, 16 bytes long.
 Data: <@vk'            > 40 76 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000116276B6D90, 16 bytes long.
 Data: < ]k'            > 80 5D 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000116276B5D80, 40 bytes long.
 Data: < mk'     |N)    > 90 6D 6B 27 16 01 00 00 90 7C 4E 29 16 01 00 00 
{267} normal block at 0x00000116276B70B0, 16 bytes long.
 Data: < vk'            > 20 76 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000116276B6A20, 16 bytes long.
 Data: <&#248;uk'            > F8 75 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000116276B1100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000116276B67F0, 16 bytes long.
 Data: <&#208;uk'            > D0 75 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000116276B75D0, 992 bytes long.
 Data: <&#240;gk'      k'    > F0 67 6B 27 16 01 00 00 00 11 6B 27 16 01 00 00 
{99} normal block at 0x00000116276B12E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000116276AE6E0, 16 bytes long.
 Data: <&#160;\k'            > A0 5C 6B 27 16 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000116276B5CA0, 40 bytes long.
 Data: <&#224;&#230;j'    &#224; k'    > E0 E6 6A 27 16 01 00 00 E0 12 6B 27 16 01 00 00 
{76} normal block at 0x00000116276AE320, 16 bytes long.
 Data: < &#234;&#225;t&#247;           > 80 EA E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000116276AE3C0, 16 bytes long.
 Data: <@&#233;&#225;t&#247;           > 40 E9 E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000116276AE140, 16 bytes long.
 Data: <&#248;W&#222;t&#247;           > F8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000116276AE820, 16 bytes long.
 Data: <&#216;W&#222;t&#247;           > D8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000116276AE4B0, 16 bytes long.
 Data: <P &#222;t&#247;           > 50 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000116276AE640, 16 bytes long.
 Data: <0 &#222;t&#247;           > 30 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000116276AE0A0, 16 bytes long.
 Data: <&#224; &#222;t&#247;           > E0 02 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000116276AEB40, 16 bytes long.
 Data: <  &#222;t&#247;           > 10 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000116276AE5F0, 16 bytes long.
 Data: <p &#222;t&#247;           > 70 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000116276AE0F0, 16 bytes long.
 Data: < &#192;&#220;t&#247;           > 18 C0 DC 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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