Task 38670121

Name test_172-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND1659_0
Workunit 31612393
Created 25 Oct 2026, 16:32:56 UTC
Sent 25 Oct 2026, 16:32:59 UTC
Report deadline 30 Oct 2026, 16:32:59 UTC
Received 25 Oct 2026, 19:56:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652619
Run time 1 hours 33 min 49 sec
CPU time 1 hours 30 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.27 MB
Peak swap size 8.37 GB
Peak disk usage 4.13 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:23:46 (10200): wrapper (7.9.26016): starting
02:23:47 (10200): 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
02:23:49 (10200): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:23:49 (10200): 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
03:56:17 (10200): C:/Windows/system32/cmd.exe exited; CPU time 5400.875000
03:56:17 (10200): 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: 87659245 bytes.
Dumping objects ->
{3835481} normal block at 0x000001EF12EC3250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x000001EF110B47B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000001EF110B4270, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x000001EF110B45F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x000001EF110B4820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x000001EF12DEB750, 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) : {3835393} normal block at 0x000001EF110AF920, 8 bytes long.
 Data: <  U &#239;   > 00 00 55 11 EF 01 00 00 
{3833953} normal block at 0x000001EF110AF100, 8 bytes long.
 Data: <&#192; &#232; &#239;   > C0 80 E8 12 EF 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001EF110B0890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EF110A51D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001EF110B5BC0, 16 bytes long.
 Data: <XM  &#239;           > 58 4D 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EF110B5940, 16 bytes long.
 Data: <0M  &#239;           > 30 4D 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EF110AE3B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001EF110B5850, 16 bytes long.
 Data: < M  &#239;           > 08 4D 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EF110B5300, 16 bytes long.
 Data: <&#224;L  &#239;           > E0 4C 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF110B5C10, 16 bytes long.
 Data: <&#184;L  &#239;           > B8 4C 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EF110B4EA0, 16 bytes long.
 Data: < L  &#239;           > 90 4C 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EF110B4580, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001EF110B5620, 16 bytes long.
 Data: <(&#242;	 &#239;           > 28 F2 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EF110AE710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001EF110B5580, 16 bytes long.
 Data: < &#242;	 &#239;           > 00 F2 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EF110B5710, 16 bytes long.
 Data: <&#216;&#241;	 &#239;           > D8 F1 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF110B5B20, 16 bytes long.
 Data: <&#176;&#241;	 &#239;           > B0 F1 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EF110B5990, 16 bytes long.
 Data: < &#241;	 &#239;           > 88 F1 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EF110B4F90, 16 bytes long.
 Data: <`&#241;	 &#239;           > 60 F1 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EF110B5DF0, 16 bytes long.
 Data: <8&#241;	 &#239;           > 38 F1 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF110ADFF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001EF110B5D50, 16 bytes long.
 Data: < &#241;	 &#239;           > 10 F1 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EF1109F110, 320 bytes long.
 Data: <P]  &#239;   &#240;&#223;  &#239;   > 50 5D 0B 11 EF 01 00 00 F0 DF 0A 11 EF 01 00 00 
{272} normal block at 0x000001EF110B5A30, 16 bytes long.
 Data: <pL  &#239;           > 70 4C 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EF110B58F0, 16 bytes long.
 Data: <HL  &#239;           > 48 4C 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EF110AE290, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001EF110B5CB0, 16 bytes long.
 Data: < L  &#239;           > 20 4C 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EF110AE4D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001EF110B5DA0, 16 bytes long.
 Data: <hK  &#239;           > 68 4B 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EF110B58A0, 16 bytes long.
 Data: <@K  &#239;           > 40 4B 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EF110B5800, 16 bytes long.
 Data: < K  &#239;           > 18 4B 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EF110AF880, 16 bytes long.
 Data: <&#240;J  &#239;           > F0 4A 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EF110AF6F0, 16 bytes long.
 Data: <&#200;J  &#239;           > C8 4A 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EF110AF510, 16 bytes long.
 Data: <&#160;J  &#239;           > A0 4A 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EF110AF330, 16 bytes long.
 Data: <&#208;F  &#239;           > D0 46 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EF110B46D0, 40 bytes long.
 Data: <0&#243;  &#239;   P&#183;&#222; &#239;   > 30 F3 0A 11 EF 01 00 00 50 B7 DE 12 EF 01 00 00 
{258} normal block at 0x000001EF110AF0B0, 16 bytes long.
 Data: < J  &#239;           > 80 4A 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EF110AF4C0, 16 bytes long.
 Data: <XJ  &#239;           > 58 4A 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EF110AE2F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001EF110AF2E0, 16 bytes long.
 Data: <0J  &#239;           > 30 4A 0B 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001EF110B4A30, 992 bytes long.
 Data: <&#224;&#242;  &#239;   &#240;&#226;  &#239;   > E0 F2 0A 11 EF 01 00 00 F0 E2 0A 11 EF 01 00 00 
{90} normal block at 0x000001EF110ADED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001EF110AF830, 16 bytes long.
 Data: <&#240;&#226;	 &#239;           > F0 E2 09 11 EF 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001EF1109E2F0, 40 bytes long.
 Data: <0&#248;  &#239;   &#208;&#222;  &#239;   > 30 F8 0A 11 EF 01 00 00 D0 DE 0A 11 EF 01 00 00 
{67} normal block at 0x000001EF110AF1A0, 16 bytes long.
 Data: < &#234;&#199;J&#246;           > 80 EA C7 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EF110AF740, 16 bytes long.
 Data: <@&#233;&#199;J&#246;           > 40 E9 C7 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EF110AECA0, 16 bytes long.
 Data: <&#248;W&#196;J&#246;           > F8 57 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EF110AF7E0, 16 bytes long.
 Data: <&#216;W&#196;J&#246;           > D8 57 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EF110AF650, 16 bytes long.
 Data: <P &#196;J&#246;           > 50 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EF110AED40, 16 bytes long.
 Data: <0 &#196;J&#246;           > 30 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EF110AF060, 16 bytes long.
 Data: <&#224; &#196;J&#246;           > E0 02 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EF110AF380, 16 bytes long.
 Data: <  &#196;J&#246;           > 10 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EF110AF600, 16 bytes long.
 Data: <p &#196;J&#246;           > 70 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001EF110AF970, 16 bytes long.
 Data: < &#192;&#194;J&#246;           > 18 C0 C2 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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