Task 38683213

Name test_760-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0074_0
Workunit 31624791
Created 27 Oct 2026, 10:54:38 UTC
Sent 27 Oct 2026, 10:54:43 UTC
Report deadline 1 Nov 2026, 10:54:43 UTC
Received 27 Oct 2026, 11:38:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 21 min 36 sec
CPU time 19 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 41,014.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.55 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
22:17:16 (29636): wrapper (7.9.26016): starting
22:17:16 (29636): 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
22:17:17 (29636): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:17:17 (29636): 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\34\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\34\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
22:38:03 (29636): C:/Windows/system32/cmd.exe exited; CPU time 1193.937500
22:38:03 (29636): 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: 22970097 bytes.
Dumping objects ->
{3835653} normal block at 0x0000027DD80BEA50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835642} normal block at 0x0000027DD80BEE40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835631} normal block at 0x0000027DD64B6070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835620} normal block at 0x0000027DD64B5F20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x0000027DD64B5BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835578} normal block at 0x0000027DD810CD10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x0000027DD8120030, 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) : {3835564} normal block at 0x0000027DD64B0320, 8 bytes long.
 Data: <  &#238;&#215;}   > 00 00 EE D7 7D 02 00 00 
{3834735} normal block at 0x0000027DD811F8A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000027DD64B02D0, 8 bytes long.
 Data: <p&#235; &#216;}   > 70 EB 01 D8 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000027DD64B1A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000027DD64A78E0, 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 0x0000027DD64B6940, 16 bytes long.
 Data: < vK&#214;}           > 88 76 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027DD64B6F80, 16 bytes long.
 Data: <`vK&#214;}           > 60 76 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000027DD64AE290, 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 0x0000027DD64B7070, 16 bytes long.
 Data: <8vK&#214;}           > 38 76 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027DD64B6620, 16 bytes long.
 Data: < vK&#214;}           > 10 76 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027DD64B6800, 16 bytes long.
 Data: <&#232;uK&#214;}           > E8 75 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027DD64B6760, 16 bytes long.
 Data: <&#192;uK&#214;}           > C0 75 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027DD64B60E0, 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 0x0000027DD64B6C60, 16 bytes long.
 Data: <X&#245;I&#214;}           > 58 F5 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027DD64AE830, 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 0x0000027DD64B6C10, 16 bytes long.
 Data: <0&#245;I&#214;}           > 30 F5 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027DD64B6B20, 16 bytes long.
 Data: < &#245;I&#214;}           > 08 F5 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027DD64B7200, 16 bytes long.
 Data: <&#224;&#244;I&#214;}           > E0 F4 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027DD64B6440, 16 bytes long.
 Data: <&#184;&#244;I&#214;}           > B8 F4 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027DD64B6A80, 16 bytes long.
 Data: < &#244;I&#214;}           > 90 F4 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027DD64B6BC0, 16 bytes long.
 Data: <h&#244;I&#214;}           > 68 F4 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027DD64AE2F0, 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 0x0000027DD64B65D0, 16 bytes long.
 Data: <@&#244;I&#214;}           > 40 F4 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027DD649F440, 320 bytes long.
 Data: <&#208;eK&#214;}   &#240;&#226;J&#214;}   > D0 65 4B D6 7D 02 00 00 F0 E2 4A D6 7D 02 00 00 
{281} normal block at 0x0000027DD64B6AD0, 16 bytes long.
 Data: <&#160;uK&#214;}           > A0 75 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027DD64B6FD0, 16 bytes long.
 Data: <xuK&#214;}           > 78 75 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027DD64AEEF0, 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 0x0000027DD64B72F0, 16 bytes long.
 Data: <PuK&#214;}           > 50 75 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027DD64AE710, 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 0x0000027DD64B6A30, 16 bytes long.
 Data: < tK&#214;}           > 98 74 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027DD64B63A0, 16 bytes long.
 Data: <ptK&#214;}           > 70 74 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027DD64B6580, 16 bytes long.
 Data: <HtK&#214;}           > 48 74 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027DD64B6E90, 16 bytes long.
 Data: < tK&#214;}           > 20 74 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027DD64B7020, 16 bytes long.
 Data: <&#248;sK&#214;}           > F8 73 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027DD64B6990, 16 bytes long.
 Data: <&#208;sK&#214;}           > D0 73 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027DD64B68A0, 16 bytes long.
 Data: < \K&#214;}           > 80 5C 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027DD64B5C80, 40 bytes long.
 Data: <&#160;hK&#214;}    &#205; &#216;}   > A0 68 4B D6 7D 02 00 00 10 CD 10 D8 7D 02 00 00 
{267} normal block at 0x0000027DD64B68F0, 16 bytes long.
 Data: <&#176;sK&#214;}           > B0 73 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027DD64B69E0, 16 bytes long.
 Data: < sK&#214;}           > 88 73 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027DD64AE770, 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 0x0000027DD64B6B70, 16 bytes long.
 Data: <`sK&#214;}           > 60 73 4B D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027DD64B7360, 992 bytes long.
 Data: <pkK&#214;}   p&#231;J&#214;}   > 70 6B 4B D6 7D 02 00 00 70 E7 4A D6 7D 02 00 00 
{99} normal block at 0x0000027DD64AE650, 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 0x0000027DD64B0000, 16 bytes long.
 Data: <P&#241;I&#214;}           > 50 F1 49 D6 7D 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000027DD649F150, 40 bytes long.
 Data: <  K&#214;}   P&#230;J&#214;}   > 00 00 4B D6 7D 02 00 00 50 E6 4A D6 7D 02 00 00 
{76} normal block at 0x0000027DD64B06E0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000027DD64B0050, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000027DD64B0550, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000027DD64B0190, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000027DD64AFBA0, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027DD64B0280, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027DD64B0140, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027DD64B01E0, 16 bytes long.
 Data: <    &#247;           > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027DD64AFB50, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027DD64B0910, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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