Task 38672695

Name test_607-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6274_0
Workunit 31614818
Created 26 Oct 2026, 0:10:49 UTC
Sent 26 Oct 2026, 0:10:58 UTC
Report deadline 31 Oct 2026, 0:10:58 UTC
Received 26 Oct 2026, 2:22:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 32 min 47 sec
CPU time 31 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.58 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
21:49:49 (17880): wrapper (7.9.26016): starting
21:49:49 (17880): 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
21:49:50 (17880): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:49:50 (17880): 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\2\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\2\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
22:21:58 (17880): C:/Windows/system32/cmd.exe exited; CPU time 1861.312500
22:21:58 (17880): 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: 39908427 bytes.
Dumping objects ->
{3835478} normal block at 0x00000244613D8870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x00000244613D8A30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x00000244613D94B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x000002445F6C5D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x000002445F6C5CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x00000244613EB500, 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) : {3835390} normal block at 0x000002445F6C1CE0, 8 bytes long.
 Data: <  &#206;_D   > 00 00 CE 5F 44 02 00 00 
{3833961} normal block at 0x000002445F6C2500, 8 bytes long.
 Data: <p&#219;y_D   > 70 DB 79 5F 44 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002445F6B7750, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002445F6B8930, 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 0x000002445F6C6B30, 16 bytes long.
 Data: <&#232;dl_D           > E8 64 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002445F6C6F40, 16 bytes long.
 Data: <&#192;dl_D           > C0 64 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002445F6C0FD0, 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 0x000002445F6C7440, 16 bytes long.
 Data: < dl_D           > 98 64 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002445F6C72B0, 16 bytes long.
 Data: <pdl_D           > 70 64 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002445F6C6D60, 16 bytes long.
 Data: <Hdl_D           > 48 64 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002445F6C6C70, 16 bytes long.
 Data: < dl_D           > 20 64 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002445F6C6100, 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 0x000002445F6C6D10, 16 bytes long.
 Data: < &#250;j_D           > 08 FA 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002445F6C1450, 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 0x000002445F6C73F0, 16 bytes long.
 Data: <&#224;&#249;j_D           > E0 F9 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002445F6C6AE0, 16 bytes long.
 Data: <&#184;&#249;j_D           > B8 F9 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002445F6C6EF0, 16 bytes long.
 Data: < &#249;j_D           > 90 F9 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002445F6C6CC0, 16 bytes long.
 Data: <h&#249;j_D           > 68 F9 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002445F6C69F0, 16 bytes long.
 Data: <@&#249;j_D           > 40 F9 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002445F6C68B0, 16 bytes long.
 Data: < &#249;j_D           > 18 F9 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002445F6C13F0, 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 0x000002445F6C6A40, 16 bytes long.
 Data: <&#240;&#248;j_D           > F0 F8 6A 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002445F6AF8F0, 320 bytes long.
 Data: <@jl_D   &#240; l_D   > 40 6A 6C 5F 44 02 00 00 F0 13 6C 5F 44 02 00 00 
{276} normal block at 0x000002445F6C67C0, 16 bytes long.
 Data: < dl_D           > 00 64 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002445F6C7080, 16 bytes long.
 Data: <&#216;cl_D           > D8 63 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002445F6C0D30, 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 0x000002445F6C71C0, 16 bytes long.
 Data: <&#176;cl_D           > B0 63 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002445F6C07F0, 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 0x000002445F6C7170, 16 bytes long.
 Data: <&#248;bl_D           > F8 62 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002445F6C7580, 16 bytes long.
 Data: <&#208;bl_D           > D0 62 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002445F6C73A0, 16 bytes long.
 Data: <&#168;bl_D           > A8 62 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002445F6C7210, 16 bytes long.
 Data: < bl_D           > 80 62 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002445F6C6810, 16 bytes long.
 Data: <Xbl_D           > 58 62 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002445F6C25A0, 16 bytes long.
 Data: <0bl_D           > 30 62 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002445F6C1C40, 16 bytes long.
 Data: <P[l_D           > 50 5B 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002445F6C5B50, 40 bytes long.
 Data: <@ l_D    &#181;>aD   > 40 1C 6C 5F 44 02 00 00 00 B5 3E 61 44 02 00 00 
{262} normal block at 0x000002445F6C1BF0, 16 bytes long.
 Data: < bl_D           > 10 62 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002445F6C1EC0, 16 bytes long.
 Data: <&#232;al_D           > E8 61 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002445F6C0AF0, 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 0x000002445F6C1740, 16 bytes long.
 Data: <&#192;al_D           > C0 61 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002445F6C61C0, 992 bytes long.
 Data: <@ l_D   &#240; l_D   > 40 17 6C 5F 44 02 00 00 F0 0A 6C 5F 44 02 00 00 
{94} normal block at 0x000002445F6C1330, 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 0x000002445F6C2280, 16 bytes long.
 Data: < `l_D           > 90 60 6C 5F 44 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002445F6C6090, 40 bytes long.
 Data: < "l_D   0 l_D   > 80 22 6C 5F 44 02 00 00 30 13 6C 5F 44 02 00 00 
{71} normal block at 0x000002445F6C21E0, 16 bytes long.
 Data: < &#234; ;&#247;           > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002445F6C19C0, 16 bytes long.
 Data: <@&#233; ;&#247;           > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002445F6C1920, 16 bytes long.
 Data: <&#248;W&#149;;&#247;           > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002445F6C2230, 16 bytes long.
 Data: <&#216;W&#149;;&#247;           > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002445F6C20A0, 16 bytes long.
 Data: <P &#149;;&#247;           > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002445F6C1DD0, 16 bytes long.
 Data: <0 &#149;;&#247;           > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002445F6C22D0, 16 bytes long.
 Data: <&#224; &#149;;&#247;           > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002445F6C1C90, 16 bytes long.
 Data: <  &#149;;&#247;           > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002445F6C2640, 16 bytes long.
 Data: <p &#149;;&#247;           > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002445F6C1F10, 16 bytes long.
 Data: < &#192;&#147;;&#247;           > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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