Task 38656445

Name test_512-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND7473_1
Workunit 31599788
Created 24 Oct 2026, 10:38:23 UTC
Sent 24 Oct 2026, 10:44:54 UTC
Report deadline 29 Oct 2026, 10:44:54 UTC
Received 24 Oct 2026, 11:16:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647482
Run time 26 min 8 sec
CPU time 23 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,850.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.99 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:50:28 (34196): wrapper (7.9.26016): starting
12:50:28 (34196): 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
12:50:30 (34196): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:50:30 (34196): 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
13:15:31 (34196): C:/Windows/system32/cmd.exe exited; CPU time 1408.343750
13:15:31 (34196): 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: 23390747 bytes.
Dumping objects ->
{3835197} normal block at 0x000001AC06A1CBA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001AC06A1D3F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001AC06A1D1C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001AC04CA4800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001AC04CA4B80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001AC06A649C0, 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) : {3835109} normal block at 0x000001AC04C9FD30, 8 bytes long.
 Data: <    &#172;   > 00 00 16 05 AC 01 00 00 
{3833961} normal block at 0x000001AC04C9FD80, 8 bytes long.
 Data: <0.&#175; &#172;   > 30 2E AF 06 AC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AC04C96B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AC04C97310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001AC04CA6090, 16 bytes long.
 Data: <&#248;f&#202; &#172;           > F8 66 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AC04CA5780, 16 bytes long.
 Data: <&#208;f&#202; &#172;           > D0 66 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AC04CA0A70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001AC04CA5960, 16 bytes long.
 Data: <&#168;f&#202; &#172;           > A8 66 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AC04CA5870, 16 bytes long.
 Data: < f&#202; &#172;           > 80 66 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AC04CA5410, 16 bytes long.
 Data: <Xf&#202; &#172;           > 58 66 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AC04CA5A50, 16 bytes long.
 Data: <0f&#202; &#172;           > 30 66 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AC04CA4640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001AC04CA56E0, 16 bytes long.
 Data: <&#168;&#241;&#200; &#172;           > A8 F1 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AC04CA0E30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001AC04CA58C0, 16 bytes long.
 Data: < &#241;&#200; &#172;           > 80 F1 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AC04CA6360, 16 bytes long.
 Data: <X&#241;&#200; &#172;           > 58 F1 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AC04CA57D0, 16 bytes long.
 Data: <0&#241;&#200; &#172;           > 30 F1 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AC04CA5D70, 16 bytes long.
 Data: < &#241;&#200; &#172;           > 08 F1 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AC04CA5D20, 16 bytes long.
 Data: <&#224;&#240;&#200; &#172;           > E0 F0 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AC04CA5C30, 16 bytes long.
 Data: <&#184;&#240;&#200; &#172;           > B8 F0 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AC04CA0890, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001AC04CA5CD0, 16 bytes long.
 Data: < &#240;&#200; &#172;           > 90 F0 C8 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AC04C8F090, 320 bytes long.
 Data: <&#208;\&#202; &#172;     &#202; &#172;   > D0 5C CA 04 AC 01 00 00 90 08 CA 04 AC 01 00 00 
{276} normal block at 0x000001AC04CA5E60, 16 bytes long.
 Data: < f&#202; &#172;           > 10 66 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AC04CA5B90, 16 bytes long.
 Data: <&#232;e&#202; &#172;           > E8 65 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AC04CA0CB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001AC04CA5A00, 16 bytes long.
 Data: <&#192;e&#202; &#172;           > C0 65 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AC04CA0BF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001AC04CA5E10, 16 bytes long.
 Data: < e&#202; &#172;           > 08 65 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AC04CA5B40, 16 bytes long.
 Data: <&#224;d&#202; &#172;           > E0 64 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AC04CA5690, 16 bytes long.
 Data: <&#184;d&#202; &#172;           > B8 64 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AC04CA5460, 16 bytes long.
 Data: < d&#202; &#172;           > 90 64 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AC04CA5AF0, 16 bytes long.
 Data: <hd&#202; &#172;           > 68 64 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AC04CA5C80, 16 bytes long.
 Data: <@d&#202; &#172;           > 40 64 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AC04CA5BE0, 16 bytes long.
 Data: <&#240;K&#202; &#172;           > F0 4B CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AC04CA4BF0, 40 bytes long.
 Data: <&#224;[&#202; &#172;   &#192;I&#166; &#172;   > E0 5B CA 04 AC 01 00 00 C0 49 A6 06 AC 01 00 00 
{262} normal block at 0x000001AC04CA5820, 16 bytes long.
 Data: < d&#202; &#172;           > 20 64 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AC04CA5730, 16 bytes long.
 Data: <&#248;c&#202; &#172;           > F8 63 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AC04CA11F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001AC04CA5500, 16 bytes long.
 Data: <&#208;c&#202; &#172;           > D0 63 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AC04CA63D0, 992 bytes long.
 Data: < U&#202; &#172;   &#240; &#202; &#172;   > 00 55 CA 04 AC 01 00 00 F0 11 CA 04 AC 01 00 00 
{94} normal block at 0x000001AC04CA0DD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001AC04C9FCE0, 16 bytes long.
 Data: <pH&#202; &#172;           > 70 48 CA 04 AC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001AC04CA4870, 40 bytes long.
 Data: <&#224;&#252;&#201; &#172;   &#208; &#202; &#172;   > E0 FC C9 04 AC 01 00 00 D0 0D CA 04 AC 01 00 00 
{71} normal block at 0x000001AC04C9F6A0, 16 bytes long.
 Data: < &#234; &#251;&#247;           > 80 EA 03 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AC04C9FBA0, 16 bytes long.
 Data: <@&#233; &#251;&#247;           > 40 E9 03 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AC04C9F740, 16 bytes long.
 Data: <&#248;W &#251;&#247;           > F8 57 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AC04C9F830, 16 bytes long.
 Data: <&#216;W &#251;&#247;           > D8 57 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AC04CA0550, 16 bytes long.
 Data: <P  &#251;&#247;           > 50 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AC04C9FDD0, 16 bytes long.
 Data: <0  &#251;&#247;           > 30 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AC04C9FFB0, 16 bytes long.
 Data: <&#224;  &#251;&#247;           > E0 02 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AC04C9FF60, 16 bytes long.
 Data: <   &#251;&#247;           > 10 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AC04CA0320, 16 bytes long.
 Data: <p  &#251;&#247;           > 70 04 00 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AC04CA05A0, 16 bytes long.
 Data: < &#192;&#254;&#250;&#247;           > 18 C0 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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