Task 38684612

Name test_944-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6254_0
Workunit 31626120
Created 27 Oct 2026, 17:10:39 UTC
Sent 27 Oct 2026, 17:10:42 UTC
Report deadline 1 Nov 2026, 17:10:42 UTC
Received 27 Oct 2026, 18:49:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646363
Run time 44 min 1 sec
CPU time 41 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,611.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.38 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:02:53 (30344): wrapper (7.9.26016): starting
18:02:53 (30344): 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
18:02:54 (30344): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:02:54 (30344): 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 'D:\ProgramData\BOINC\slots\4\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 'D:\ProgramData\BOINC\slots\4\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
18:48:52 (30344): C:/Windows/system32/cmd.exe exited; CPU time 2478.046875
18:48:52 (30344): 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: 69029965 bytes.
Dumping objects ->
{3835471} normal block at 0x0000020E332289C0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000020E31565640, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x0000020E315654F0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x0000020E31565480, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000020E31565330, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000020E33236C80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835383} normal block at 0x0000020E31560130, 8 bytes long.
 Data: <   1    > 00 00 98 31 0E 02 00 00 
{3833963} normal block at 0x0000020E31560090, 8 bytes long.
 Data: <pW,3    > 70 57 2C 33 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020E31562400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020E31556390, 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 0x0000020E31566240, 16 bytes long.
 Data: < oV1            > 88 6F 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020E315666A0, 16 bytes long.
 Data: <`oV1            > 60 6F 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020E3155D610, 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 0x0000020E31565ED0, 16 bytes long.
 Data: <8oV1            > 38 6F 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020E31566650, 16 bytes long.
 Data: < oV1            > 10 6F 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020E31565D90, 16 bytes long.
 Data: <&#232;nV1            > E8 6E 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020E31566600, 16 bytes long.
 Data: <&#192;nV1            > C0 6E 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020E315651E0, 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 0x0000020E31566BF0, 16 bytes long.
 Data: <&#200;&#236;T1            > C8 EC 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020E3155E390, 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 0x0000020E31566B50, 16 bytes long.
 Data: <&#160;&#236;T1            > A0 EC 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020E31566B00, 16 bytes long.
 Data: <x&#236;T1            > 78 EC 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020E315661F0, 16 bytes long.
 Data: <P&#236;T1            > 50 EC 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020E315660B0, 16 bytes long.
 Data: <(&#236;T1            > 28 EC 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020E31566740, 16 bytes long.
 Data: < &#236;T1            > 00 EC 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E31566290, 16 bytes long.
 Data: <&#216;&#235;T1            > D8 EB 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020E3155D910, 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 0x0000020E31566920, 16 bytes long.
 Data: <&#176;&#235;T1            > B0 EB 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020E3154EBB0, 320 bytes long.
 Data: < iV1     &#217;U1    > 20 69 56 31 0E 02 00 00 10 D9 55 31 0E 02 00 00 
{277} normal block at 0x0000020E31565E80, 16 bytes long.
 Data: <&#160;nV1            > A0 6E 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E31566510, 16 bytes long.
 Data: <xnV1            > 78 6E 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020E3155D7F0, 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 0x0000020E31566560, 16 bytes long.
 Data: <PnV1            > 50 6E 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E3155DA30, 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 0x0000020E31566AB0, 16 bytes long.
 Data: < mV1            > 98 6D 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020E31566970, 16 bytes long.
 Data: <pmV1            > 70 6D 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020E31566A10, 16 bytes long.
 Data: <HmV1            > 48 6D 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020E31566420, 16 bytes long.
 Data: < mV1            > 20 6D 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020E31566A60, 16 bytes long.
 Data: <&#248;lV1            > F8 6C 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E315661A0, 16 bytes long.
 Data: <&#208;lV1            > D0 6C 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020E315666F0, 16 bytes long.
 Data: <&#160;SV1            > A0 53 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020E315653A0, 40 bytes long.
 Data: <&#240;fV1     l#3    > F0 66 56 31 0E 02 00 00 80 6C 23 33 0E 02 00 00 
{263} normal block at 0x0000020E31565FC0, 16 bytes long.
 Data: <&#176;lV1            > B0 6C 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020E315664C0, 16 bytes long.
 Data: < lV1            > 88 6C 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020E3155E330, 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 0x0000020E31565F70, 16 bytes long.
 Data: <`lV1            > 60 6C 56 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020E31566C60, 992 bytes long.
 Data: <p_V1    0&#227;U1    > 70 5F 56 31 0E 02 00 00 30 E3 55 31 0E 02 00 00 
{95} normal block at 0x0000020E3155E270, 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 0x0000020E315604A0, 16 bytes long.
 Data: <@&#235;T1            > 40 EB 54 31 0E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020E3154EB40, 40 bytes long.
 Data: <&#160; V1    p&#226;U1    > A0 04 56 31 0E 02 00 00 70 E2 55 31 0E 02 00 00 
{72} normal block at 0x0000020E31560450, 16 bytes long.
 Data: < &#234; &#160;&#246;           > 80 EA 14 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020E3155F640, 16 bytes long.
 Data: <@&#233; &#160;&#246;           > 40 E9 14 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020E3155FB40, 16 bytes long.
 Data: <&#248;W &#160;&#246;           > F8 57 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020E3155F6E0, 16 bytes long.
 Data: <&#216;W &#160;&#246;           > D8 57 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020E3155FD70, 16 bytes long.
 Data: <P  &#160;&#246;           > 50 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020E3155F5F0, 16 bytes long.
 Data: <0  &#160;&#246;           > 30 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020E3155FFF0, 16 bytes long.
 Data: <&#224;  &#160;&#246;           > E0 02 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020E315602C0, 16 bytes long.
 Data: <   &#160;&#246;           > 10 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020E3155FCD0, 16 bytes long.
 Data: <p  &#160;&#246;           > 70 04 11 A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020E3155F870, 16 bytes long.
 Data: < &#192; &#160;&#246;           > 18 C0 0F A0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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