Task 38664720

Name test_930-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND9667_0
Workunit 31607849
Created 24 Oct 2026, 23:57:15 UTC
Sent 24 Oct 2026, 23:57:56 UTC
Report deadline 29 Oct 2026, 23:57:56 UTC
Received 25 Oct 2026, 1:07:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629480
Run time 25 min 28 sec
CPU time 24 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.11 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:59:36 (22904): wrapper (7.9.26016): starting
18:59:36 (22904): 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
18:59:37 (22904): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:59:37 (22904): 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\1\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\1\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
19:24:06 (22904): C:/Windows/system32/cmd.exe exited; CPU time 1452.156250
19:24:06 (22904): 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: 30936715 bytes.
Dumping objects ->
{3835519} normal block at 0x000001F2949584E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x000001F294958C50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001F294958860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000001F292AF4B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001F292AF46B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x000001F294966600, 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) : {3835431} normal block at 0x000001F292AEECC0, 8 bytes long.
 Data: <  &#249;&#146;&#242;   > 00 00 F9 92 F2 01 00 00 
{3833959} normal block at 0x000001F292AEF300, 8 bytes long.
 Data: <pZ&#159;&#148;&#242;   > 70 5A 9F 94 F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F292AF12D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F292AE6C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F292AF5DB0, 16 bytes long.
 Data: <&#168;e&#175;&#146;&#242;           > A8 65 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F292AF5AE0, 16 bytes long.
 Data: < e&#175;&#146;&#242;           > 80 65 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F292AEFA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F292AF5D60, 16 bytes long.
 Data: <Xe&#175;&#146;&#242;           > 58 65 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F292AF5CC0, 16 bytes long.
 Data: <0e&#175;&#146;&#242;           > 30 65 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F292AF5C70, 16 bytes long.
 Data: < e&#175;&#146;&#242;           > 08 65 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F292AF6030, 16 bytes long.
 Data: <&#224;d&#175;&#146;&#242;           > E0 64 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F292AF4720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F292AF5A40, 16 bytes long.
 Data: < &#231;&#173;&#146;&#242;           > 08 E7 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F292AEF8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F292AF6170, 16 bytes long.
 Data: <&#224;&#230;&#173;&#146;&#242;           > E0 E6 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F292AF5F90, 16 bytes long.
 Data: <&#184;&#230;&#173;&#146;&#242;           > B8 E6 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F292AF5C20, 16 bytes long.
 Data: < &#230;&#173;&#146;&#242;           > 90 E6 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F292AF57C0, 16 bytes long.
 Data: <h&#230;&#173;&#146;&#242;           > 68 E6 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F292AF5BD0, 16 bytes long.
 Data: <@&#230;&#173;&#146;&#242;           > 40 E6 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F292AF54F0, 16 bytes long.
 Data: < &#230;&#173;&#146;&#242;           > 18 E6 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F292AEF7E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F292AF5D10, 16 bytes long.
 Data: <&#240;&#229;&#173;&#146;&#242;           > F0 E5 AD 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F292ADE5F0, 320 bytes long.
 Data: < ]&#175;&#146;&#242;   &#224;&#247;&#174;&#146;&#242;   > 10 5D AF 92 F2 01 00 00 E0 F7 AE 92 F2 01 00 00 
{275} normal block at 0x000001F292AF59F0, 16 bytes long.
 Data: <&#192;d&#175;&#146;&#242;           > C0 64 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F292AF53B0, 16 bytes long.
 Data: < d&#175;&#146;&#242;           > 98 64 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F292AF0320, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F292AF5B30, 16 bytes long.
 Data: <pd&#175;&#146;&#242;           > 70 64 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F292AF02C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F292AF5FE0, 16 bytes long.
 Data: <&#184;c&#175;&#146;&#242;           > B8 63 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F292AF5450, 16 bytes long.
 Data: < c&#175;&#146;&#242;           > 90 63 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F292AF59A0, 16 bytes long.
 Data: <hc&#175;&#146;&#242;           > 68 63 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F292AF52C0, 16 bytes long.
 Data: <@c&#175;&#146;&#242;           > 40 63 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F292AF6120, 16 bytes long.
 Data: < c&#175;&#146;&#242;           > 18 63 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F292AF5A90, 16 bytes long.
 Data: <&#240;b&#175;&#146;&#242;           > F0 62 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F292AF5B80, 16 bytes long.
 Data: <`L&#175;&#146;&#242;           > 60 4C AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F292AF4C60, 40 bytes long.
 Data: < [&#175;&#146;&#242;    f&#150;&#148;&#242;   > 80 5B AF 92 F2 01 00 00 00 66 96 94 F2 01 00 00 
{261} normal block at 0x000001F292AF54A0, 16 bytes long.
 Data: <&#208;b&#175;&#146;&#242;           > D0 62 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F292AF5770, 16 bytes long.
 Data: <&#168;b&#175;&#146;&#242;           > A8 62 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F292AF0260, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F292AF5F40, 16 bytes long.
 Data: < b&#175;&#146;&#242;           > 80 62 AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F292AF6280, 992 bytes long.
 Data: <@_&#175;&#146;&#242;   ` &#175;&#146;&#242;   > 40 5F AF 92 F2 01 00 00 60 02 AF 92 F2 01 00 00 
{93} normal block at 0x000001F292AEF780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F292AEF5D0, 16 bytes long.
 Data: <&#240;K&#175;&#146;&#242;           > F0 4B AF 92 F2 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F292AF4BF0, 40 bytes long.
 Data: <&#208;&#245;&#174;&#146;&#242;    &#247;&#174;&#146;&#242;   > D0 F5 AE 92 F2 01 00 00 80 F7 AE 92 F2 01 00 00 
{70} normal block at 0x000001F292AEF620, 16 bytes long.
 Data: < &#234;&#181;&#180;&#247;           > 80 EA B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F292AEEC70, 16 bytes long.
 Data: <@&#233;&#181;&#180;&#247;           > 40 E9 B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F292AEE8B0, 16 bytes long.
 Data: <&#248;W&#178;&#180;&#247;           > F8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F292AEF2B0, 16 bytes long.
 Data: <&#216;W&#178;&#180;&#247;           > D8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F292AEE9A0, 16 bytes long.
 Data: <P &#178;&#180;&#247;           > 50 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F292AEF6C0, 16 bytes long.
 Data: <0 &#178;&#180;&#247;           > 30 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F292AEF260, 16 bytes long.
 Data: <&#224; &#178;&#180;&#247;           > E0 02 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F292AEEC20, 16 bytes long.
 Data: <  &#178;&#180;&#247;           > 10 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F292AEF440, 16 bytes long.
 Data: <p &#178;&#180;&#247;           > 70 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F292AEF580, 16 bytes long.
 Data: < &#192;&#176;&#180;&#247;           > 18 C0 B0 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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