Task 38686821

Name test_67-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5890_0
Workunit 31628232
Created 28 Oct 2026, 4:33:06 UTC
Sent 28 Oct 2026, 4:33:16 UTC
Report deadline 2 Nov 2026, 4:33:16 UTC
Received 28 Oct 2026, 5:16:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645746
Run time 42 min 21 sec
CPU time 36 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.29 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:34:43 (22200): wrapper (7.9.26016): starting
00:34:43 (22200): 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
00:34:44 (22200): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:34:44 (22200): 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\20\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\20\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
01:15:48 (22200): C:/Windows/system32/cmd.exe exited; CPU time 2213.687500
01:15:48 (22200): 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: 40375787 bytes.
Dumping objects ->
{3835188} normal block at 0x00000000005D4720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000000005D44F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x00000000005D4800, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835155} normal block at 0x00000000005D49C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x00000000005D46B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835113} normal block at 0x000000000245B5B0, 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) : {3835100} normal block at 0x00000000005CF200, 8 bytes long.
 Data: <  W     > 00 00 57 00 00 00 00 00 
{3833951} normal block at 0x00000000005D0060, 8 bytes long.
 Data: < :K     > 90 3A 4B 02 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000000005D0CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000000005C7270, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000000005D5940, 16 bytes long.
 Data: < T]             > 88 54 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000000005D5B70, 16 bytes long.
 Data: <`T]             > 60 54 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000000005CE450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000000005D5620, 16 bytes long.
 Data: <8T]             > 38 54 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000000005D58F0, 16 bytes long.
 Data: < T]             > 10 54 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000000005D5670, 16 bytes long.
 Data: <&#232;S]             > E8 53 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000000005D61B0, 16 bytes long.
 Data: <&#192;S]             > C0 53 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000000005D4410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000000005D6250, 16 bytes long.
 Data: <XA]             > 58 41 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000000005CE810, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000000005D55D0, 16 bytes long.
 Data: <0A]             > 30 41 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000000005D5DF0, 16 bytes long.
 Data: < A]             > 08 41 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000000005D6160, 16 bytes long.
 Data: <&#224;@]             > E0 40 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000000005D5EE0, 16 bytes long.
 Data: <&#184;@]             > B8 40 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000000005D5F80, 16 bytes long.
 Data: < @]             > 90 40 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000000005D58A0, 16 bytes long.
 Data: <h@]             > 68 40 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000000005CEA50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000000005D56C0, 16 bytes long.
 Data: <@@]             > 40 40 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000000005D4040, 320 bytes long.
 Data: <&#192;V]     P&#234;\     > C0 56 5D 00 00 00 00 00 50 EA 5C 00 00 00 00 00 
{271} normal block at 0x00000000005D5DA0, 16 bytes long.
 Data: <&#160;S]             > A0 53 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000000005D5D50, 16 bytes long.
 Data: <xS]             > 78 53 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000000005CEDB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000000005D5850, 16 bytes long.
 Data: <PS]             > 50 53 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000000005CE990, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000000005D6020, 16 bytes long.
 Data: < R]             > 98 52 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000000005D60C0, 16 bytes long.
 Data: <pR]             > 70 52 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000000005D64D0, 16 bytes long.
 Data: <HR]             > 48 52 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000000005D6110, 16 bytes long.
 Data: < R]             > 20 52 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000000005CFCF0, 16 bytes long.
 Data: <&#248;Q]             > F8 51 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000000005CF5C0, 16 bytes long.
 Data: <&#208;Q]             > D0 51 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000000005CFC50, 16 bytes long.
 Data: <&#160;C]             > A0 43 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000000005D43A0, 40 bytes long.
 Data: <P&#252;\     &#176;&#181;E     > 50 FC 5C 00 00 00 00 00 B0 B5 45 02 00 00 00 00 
{257} normal block at 0x00000000005CF8E0, 16 bytes long.
 Data: <&#176;Q]             > B0 51 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000000005CF160, 16 bytes long.
 Data: < Q]             > 88 51 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000000005CEE10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000000005CFF70, 16 bytes long.
 Data: <`Q]             > 60 51 5D 00 00 00 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000000005D5160, 992 bytes long.
 Data: <p&#255;\      &#238;\     > 70 FF 5C 00 00 00 00 00 10 EE 5C 00 00 00 00 00 
{89} normal block at 0x00000000005CE270, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000000005CF7F0, 16 bytes long.
 Data: < &#177;[             > 90 B1 5B 00 00 00 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000000005BB190, 40 bytes long.
 Data: <&#240;&#247;\     p&#226;\     > F0 F7 5C 00 00 00 00 00 70 E2 5C 00 00 00 00 00 
{66} normal block at 0x00000000005CFB10, 16 bytes long.
 Data: < &#234;&#248;&#207;&#247;           > 80 EA F8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000000005CFF20, 16 bytes long.
 Data: <@&#233;&#248;&#207;&#247;           > 40 E9 F8 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000000005CF3E0, 16 bytes long.
 Data: <&#248;W&#245;&#207;&#247;           > F8 57 F5 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000000005CF980, 16 bytes long.
 Data: <&#216;W&#245;&#207;&#247;           > D8 57 F5 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000000005CFBB0, 16 bytes long.
 Data: <P &#245;&#207;&#247;           > 50 04 F5 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000000005CFA70, 16 bytes long.
 Data: <0 &#245;&#207;&#247;           > 30 04 F5 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000000005CF7A0, 16 bytes long.
 Data: <&#224; &#245;&#207;&#247;           > E0 02 F5 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000000005CFED0, 16 bytes long.
 Data: <  &#245;&#207;&#247;           > 10 04 F5 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000000005CFFC0, 16 bytes long.
 Data: <p &#245;&#207;&#247;           > 70 04 F5 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000000005CFA20, 16 bytes long.
 Data: < &#192;&#243;&#207;&#247;           > 18 C0 F3 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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