Task 38688829

Name test_548-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2909_0
Workunit 31630138
Created 28 Oct 2026, 16:26:27 UTC
Sent 28 Oct 2026, 16:26:38 UTC
Report deadline 2 Nov 2026, 16:26:38 UTC
Received 28 Oct 2026, 16:42:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 50 sec
CPU time 12 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.57 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:27:56 (10612): wrapper (7.9.26016): starting
17:27:56 (10612): 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
17:27:57 (10612): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:27:57 (10612): 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
17:41:11 (10612): C:/Windows/system32/cmd.exe exited; CPU time 727.578125
17:41:11 (10612): 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: 10929213 bytes.
Dumping objects ->
{3835237} normal block at 0x000001577EB24B80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001577EB24CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001577EB24C60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000001577EB24BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001577CCB4BF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000001577EACA580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000001577EADEC00, 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) : {3835148} normal block at 0x000001577CCAE1C0, 8 bytes long.
 Data: <  t~W   > 00 00 74 7E 57 01 00 00 
{3834544} normal block at 0x000001577EADF440, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001577CCADF90, 8 bytes long.
 Data: < B&#203;|W   > 80 42 CB 7C 57 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001577CCB18A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001577CCA6C60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001577CCB60D0, 16 bytes long.
 Data: < j&#203;|W           > 08 6A CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001577CCB6080, 16 bytes long.
 Data: <&#224;i&#203;|W           > E0 69 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001577CCAF2B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001577CCB5FE0, 16 bytes long.
 Data: <&#184;i&#203;|W           > B8 69 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001577CCB5F90, 16 bytes long.
 Data: < i&#203;|W           > 90 69 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001577CCB5EF0, 16 bytes long.
 Data: <hi&#203;|W           > 68 69 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001577CCB6350, 16 bytes long.
 Data: <@i&#203;|W           > 40 69 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001577CCB4CD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001577CCB6440, 16 bytes long.
 Data: <&#232;&#245;&#201;|W           > E8 F5 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001577CCAF550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001577CCB5B30, 16 bytes long.
 Data: <&#192;&#245;&#201;|W           > C0 F5 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001577CCB5E00, 16 bytes long.
 Data: < &#245;&#201;|W           > 98 F5 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001577CCB6260, 16 bytes long.
 Data: <p&#245;&#201;|W           > 70 F5 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001577CCB5EA0, 16 bytes long.
 Data: <H&#245;&#201;|W           > 48 F5 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001577CCB59F0, 16 bytes long.
 Data: < &#245;&#201;|W           > 20 F5 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001577CCB5720, 16 bytes long.
 Data: <&#248;&#244;&#201;|W           > F8 F4 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001577CCAF7F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001577CCB6530, 16 bytes long.
 Data: <&#208;&#244;&#201;|W           > D0 F4 C9 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001577CC9F4D0, 320 bytes long.
 Data: <0e&#203;|W   &#240;&#247;&#202;|W   > 30 65 CB 7C 57 01 00 00 F0 F7 CA 7C 57 01 00 00 
{277} normal block at 0x000001577CCB59A0, 16 bytes long.
 Data: < i&#203;|W           > 20 69 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001577CCB5950, 16 bytes long.
 Data: <&#248;h&#203;|W           > F8 68 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001577CCAEEF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001577CCB5C20, 16 bytes long.
 Data: <&#208;h&#203;|W           > D0 68 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001577CCAFB50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001577CCB6030, 16 bytes long.
 Data: < h&#203;|W           > 18 68 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001577CCB5E50, 16 bytes long.
 Data: <&#240;g&#203;|W           > F0 67 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001577CCB5A90, 16 bytes long.
 Data: <&#200;g&#203;|W           > C8 67 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001577CCB5F40, 16 bytes long.
 Data: <&#160;g&#203;|W           > A0 67 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001577CCB64E0, 16 bytes long.
 Data: <xg&#203;|W           > 78 67 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001577CCB5BD0, 16 bytes long.
 Data: <Pg&#203;|W           > 50 67 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001577CCB6670, 16 bytes long.
 Data: <PI&#203;|W           > 50 49 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001577CCB4950, 40 bytes long.
 Data: <pf&#203;|W    &#165;&#172;~W   > 70 66 CB 7C 57 01 00 00 80 A5 AC 7E 57 01 00 00 
{263} normal block at 0x000001577CCB58B0, 16 bytes long.
 Data: <0g&#203;|W           > 30 67 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001577CCB6620, 16 bytes long.
 Data: < g&#203;|W           > 08 67 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001577CCAF6D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001577CCB5DB0, 16 bytes long.
 Data: <&#224;f&#203;|W           > E0 66 CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001577CCB66E0, 992 bytes long.
 Data: <&#176;]&#203;|W   &#208;&#246;&#202;|W   > B0 5D CB 7C 57 01 00 00 D0 F6 CA 7C 57 01 00 00 
{95} normal block at 0x000001577CCAF910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001577CCADE50, 16 bytes long.
 Data: < N&#203;|W           > 90 4E CB 7C 57 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001577CCB4E90, 40 bytes long.
 Data: <P&#222;&#202;|W    &#249;&#202;|W   > 50 DE CA 7C 57 01 00 00 10 F9 CA 7C 57 01 00 00 
{72} normal block at 0x000001577CCAE300, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001577CCAD540, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001577CCAD900, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001577CCAD450, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001577CCAD400, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001577CCAE080, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001577CCADAE0, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001577CCADD60, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001577CCAD9A0, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001577CCAD720, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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