Task 38687276

Name test_981-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4125_0
Workunit 31628670
Created 28 Oct 2026, 6:54:13 UTC
Sent 28 Oct 2026, 6:54:20 UTC
Report deadline 2 Nov 2026, 6:54:20 UTC
Received 28 Oct 2026, 7:23:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 28 min 15 sec
CPU time 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.15 MB
Peak swap size 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:55:48 (37484): wrapper (7.9.26016): starting
07:55:48 (37484): 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
07:55:51 (37484): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:55:51 (37484): 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 'D:\Boinc\slots\13\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 'D:\Boinc\slots\13\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
08:22:45 (37484): C:/Windows/system32/cmd.exe exited; CPU time 1492.640625
08:22:45 (37484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 32876981 bytes.
Dumping objects ->
{3835502} normal block at 0x0000020D17F18270, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835491} normal block at 0x0000020D19B66380, 32 bytes long.
 Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835480} normal block at 0x0000020D19B666E0, 32 bytes long.
 Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835469} normal block at 0x0000020D19B662C0, 32 bytes long.
 Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835458} normal block at 0x0000020D19B66920, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835427} normal block at 0x0000020D17F18200, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x0000020D17EEDD20, 8 bytes long.
 Data: <  +     > 00 00 2B 18 0D 02 00 00 
{3833969} normal block at 0x0000020D17EEE590, 8 bytes long.
 Data: < C&#239;     > 80 43 EF 17 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020D17EDFAC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020D17EE6470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020D17EF5230, 16 bytes long.
 Data: < ]&#239;             > 98 5D EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020D17EF5780, 16 bytes long.
 Data: <p]&#239;             > 70 5D EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020D17EEFC10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020D17EF4E20, 16 bytes long.
 Data: <H]&#239;             > 48 5D EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020D17EF5550, 16 bytes long.
 Data: < ]&#239;             > 20 5D EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020D17EF5A00, 16 bytes long.
 Data: <&#248;\&#239;             > F8 5C EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020D17EF52D0, 16 bytes long.
 Data: <&#208;\&#239;             > D0 5C EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020D17EF0850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020D17EF4D80, 16 bytes long.
 Data: <  &#238;             > 08 05 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020D17EEFB50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020D17EF4F10, 16 bytes long.
 Data: <&#224; &#238;             > E0 04 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020D17EF58C0, 16 bytes long.
 Data: <&#184; &#238;             > B8 04 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020D17EF5500, 16 bytes long.
 Data: <  &#238;             > 90 04 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020D17EF5690, 16 bytes long.
 Data: <h &#238;             > 68 04 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020D17EF5320, 16 bytes long.
 Data: <@ &#238;             > 40 04 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020D17EF4EC0, 16 bytes long.
 Data: <  &#238;             > 18 04 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020D17EEF1F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020D17EF4D30, 16 bytes long.
 Data: <&#240; &#238;             > F0 03 EE 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020D17EE03F0, 320 bytes long.
 Data: <0M&#239;     &#240;&#241;&#238;     > 30 4D EF 17 0D 02 00 00 F0 F1 EE 17 0D 02 00 00 
{280} normal block at 0x0000020D17EF5460, 16 bytes long.
 Data: <&#176;\&#239;             > B0 5C EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020D17EF5640, 16 bytes long.
 Data: < \&#239;             > 88 5C EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020D17EEFC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020D17EF50F0, 16 bytes long.
 Data: <`\&#239;             > 60 5C EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020D17EEFF70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020D17EF54B0, 16 bytes long.
 Data: <&#168;[&#239;             > A8 5B EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020D17EF53C0, 16 bytes long.
 Data: < [&#239;             > 80 5B EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020D17EF4B50, 16 bytes long.
 Data: <X[&#239;             > 58 5B EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020D17EF4B00, 16 bytes long.
 Data: <0[&#239;             > 30 5B EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020D17EF4CE0, 16 bytes long.
 Data: < [&#239;             > 08 5B EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020D17EF4E70, 16 bytes long.
 Data: <&#224;Z&#239;             > E0 5A EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020D17EF4C40, 16 bytes long.
 Data: <` &#239;             > 60 0B EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020D17EF0B60, 40 bytes long.
 Data: <@L&#239;      &#130;&#241;     > 40 4C EF 17 0D 02 00 00 00 82 F1 17 0D 02 00 00 
{266} normal block at 0x0000020D17EF4BF0, 16 bytes long.
 Data: <&#192;Z&#239;             > C0 5A EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020D17EF59B0, 16 bytes long.
 Data: < Z&#239;             > 98 5A EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020D17EEFD90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020D17EF5280, 16 bytes long.
 Data: <pZ&#239;             > 70 5A EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020D17EF5A70, 992 bytes long.
 Data: < R&#239;      &#253;&#238;     > 80 52 EF 17 0D 02 00 00 90 FD EE 17 0D 02 00 00 
{98} normal block at 0x0000020D17EEF4F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000020D17EEE180, 16 bytes long.
 Data: <  &#239;             > 80 0A EF 17 0D 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020D17EF0A80, 40 bytes long.
 Data: < &#225;&#238;     &#240;&#244;&#238;     > 80 E1 EE 17 0D 02 00 00 F0 F4 EE 17 0D 02 00 00 
{75} normal block at 0x0000020D17EED8C0, 16 bytes long.
 Data: < &#234;&#226;&#149;&#247;           > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020D17EEDB90, 16 bytes long.
 Data: <@&#233;&#226;&#149;&#247;           > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020D17EEDAF0, 16 bytes long.
 Data: <&#248;W&#223;&#149;&#247;           > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020D17EED960, 16 bytes long.
 Data: <&#216;W&#223;&#149;&#247;           > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020D17EEE130, 16 bytes long.
 Data: <P &#223;&#149;&#247;           > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020D17EEE630, 16 bytes long.
 Data: <0 &#223;&#149;&#247;           > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020D17EEE1D0, 16 bytes long.
 Data: <&#224; &#223;&#149;&#247;           > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020D17EEDB40, 16 bytes long.
 Data: <  &#223;&#149;&#247;           > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020D17EED7D0, 16 bytes long.
 Data: <p &#223;&#149;&#247;           > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020D17EEDA00, 16 bytes long.
 Data: < &#192;&#221;&#149;&#247;           > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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