Task 38646782

Name test_881-GPUGRID_TEST_ATM_1000_20261023-0-1-RND0810_0
Workunit 31591718
Created 23 Oct 2026, 16:47:24 UTC
Sent 23 Oct 2026, 18:05:39 UTC
Report deadline 28 Oct 2026, 18:05:39 UTC
Received 23 Oct 2026, 22:10:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654696
Run time 32 min 20 sec
CPU time 31 min 9 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.36 MB
Peak swap size 12.94 GB
Peak disk usage 3.87 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:38:22 (11816): wrapper (7.9.26016): starting
23:38:22 (11816): 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
23:38:24 (11816): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:38:24 (11816): 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
00:09:38 (11816): C:/Windows/system32/cmd.exe exited; CPU time 1869.875000
00:09:38 (11816): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 42790119 bytes.
Dumping objects ->
{3835293} normal block at 0x000001A4E2BE0DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835282} normal block at 0x000001A4E2BE08B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001A4E2BE16B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835260} normal block at 0x000001A4E2BE1640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x000001A4E2BE0990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835218} normal block at 0x000001A4E2CD5580, 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) : {3835205} normal block at 0x000001A4E10C7FE0, 8 bytes long.
 Data: <  &#149;&#226;&#164;   > 00 00 95 E2 A4 01 00 00 
{3833973} normal block at 0x000001A4E10C8580, 8 bytes long.
 Data: <&#192;S&#214;&#226;&#164;   > C0 53 D6 E2 A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001A4E10D30D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001A4E10D4150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x000001A4E10D4E80, 16 bytes long.
 Data: <8Y &#225;&#164;           > 38 59 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001A4E10D4570, 16 bytes long.
 Data: < Y &#225;&#164;           > 10 59 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A4E10CFBF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x000001A4E10D4D90, 16 bytes long.
 Data: <&#232;X &#225;&#164;           > E8 58 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A4E10D4D40, 16 bytes long.
 Data: <&#192;X &#225;&#164;           > C0 58 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A4E10D4610, 16 bytes long.
 Data: < X &#225;&#164;           > 98 58 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A4E10D4E30, 16 bytes long.
 Data: <pX &#225;&#164;           > 70 58 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A4E10CCFD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x000001A4E10D4CF0, 16 bytes long.
 Data: <&#232;@ &#225;&#164;           > E8 40 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A4E10CFDD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x000001A4E10D4C00, 16 bytes long.
 Data: <&#192;@ &#225;&#164;           > C0 40 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A4E10D4DE0, 16 bytes long.
 Data: < @ &#225;&#164;           > 98 40 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A4E10D44D0, 16 bytes long.
 Data: <p@ &#225;&#164;           > 70 40 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A4E10D4930, 16 bytes long.
 Data: <H@ &#225;&#164;           > 48 40 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A4E10D48E0, 16 bytes long.
 Data: < @ &#225;&#164;           > 20 40 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A4E10D4980, 16 bytes long.
 Data: <&#248;? &#225;&#164;           > F8 3F 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A4E10D09D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x000001A4E10D51A0, 16 bytes long.
 Data: <&#208;? &#225;&#164;           > D0 3F 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A4E10D3FD0, 320 bytes long.
 Data: <&#160;Q &#225;&#164;   &#208;	 &#225;&#164;   > A0 51 0D E1 A4 01 00 00 D0 09 0D E1 A4 01 00 00 
{282} normal block at 0x000001A4E10D4340, 16 bytes long.
 Data: <PX &#225;&#164;           > 50 58 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A4E10D4AC0, 16 bytes long.
 Data: <(X &#225;&#164;           > 28 58 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A4E10CFF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x000001A4E10D50B0, 16 bytes long.
 Data: < X &#225;&#164;           > 00 58 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A4E10D04F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x000001A4E10D4750, 16 bytes long.
 Data: <HW &#225;&#164;           > 48 57 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A4E10D4CA0, 16 bytes long.
 Data: < W &#225;&#164;           > 20 57 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A4E10D4430, 16 bytes long.
 Data: <&#248;V &#225;&#164;           > F8 56 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A4E10D5150, 16 bytes long.
 Data: <&#208;V &#225;&#164;           > D0 56 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A4E10D4890, 16 bytes long.
 Data: <&#168;V &#225;&#164;           > A8 56 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A4E10D4840, 16 bytes long.
 Data: < V &#225;&#164;           > 80 56 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A4E10D4C50, 16 bytes long.
 Data: <&#240;&#206; &#225;&#164;           > F0 CE 0C E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A4E10CCEF0, 40 bytes long.
 Data: <PL &#225;&#164;    U&#205;&#226;&#164;   > 50 4C 0D E1 A4 01 00 00 80 55 CD E2 A4 01 00 00 
{268} normal block at 0x000001A4E10D4700, 16 bytes long.
 Data: <`V &#225;&#164;           > 60 56 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A4E10D4660, 16 bytes long.
 Data: <8V &#225;&#164;           > 38 56 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A4E10D0370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x000001A4E10D5100, 16 bytes long.
 Data: < V &#225;&#164;           > 10 56 0D E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A4E10D5610, 992 bytes long.
 Data: < Q &#225;&#164;   p  &#225;&#164;   > 00 51 0D E1 A4 01 00 00 70 03 0D E1 A4 01 00 00 
{100} normal block at 0x000001A4E10D03D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x000001A4E10C8C60, 16 bytes long.
 Data: <0&#205; &#225;&#164;           > 30 CD 0C E1 A4 01 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x000001A4E10CCD30, 40 bytes long.
 Data: <`&#140; &#225;&#164;   &#208;  &#225;&#164;   > 60 8C 0C E1 A4 01 00 00 D0 03 0D E1 A4 01 00 00 
{77} normal block at 0x000001A4E10C8440, 16 bytes long.
 Data: < &#234;&#159;k&#246;           > 80 EA 9F 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001A4E10C7EA0, 16 bytes long.
 Data: <@&#233;&#159;k&#246;           > 40 E9 9F 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001A4E10C8B20, 16 bytes long.
 Data: <&#248;W&#156;k&#246;           > F8 57 9C 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001A4E10C8800, 16 bytes long.
 Data: <&#216;W&#156;k&#246;           > D8 57 9C 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A4E10C8530, 16 bytes long.
 Data: <P &#156;k&#246;           > 50 04 9C 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A4E10C87B0, 16 bytes long.
 Data: <0 &#156;k&#246;           > 30 04 9C 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A4E10C8080, 16 bytes long.
 Data: <&#224; &#156;k&#246;           > E0 02 9C 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A4E10C8350, 16 bytes long.
 Data: <  &#156;k&#246;           > 10 04 9C 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A4E10C81C0, 16 bytes long.
 Data: <p &#156;k&#246;           > 70 04 9C 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A4E10C8A30, 16 bytes long.
 Data: < &#192;&#154;k&#246;           > 18 C0 9A 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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