Task 38699509

Name test_167-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1755_0
Workunit 31639903
Created 4 Nov 2026, 12:43:25 UTC
Sent 4 Nov 2026, 12:43:29 UTC
Report deadline 9 Nov 2026, 12:43:29 UTC
Received 6 Nov 2026, 12:00:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 1 min 45 sec
CPU time 54 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.11 MB
Peak swap size 2.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:00:26 (20148): wrapper (7.9.26016): starting
12:00:26 (20148): 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
12:00:29 (20148): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:00:29 (20148): 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
12:59:31 (20148): C:/Windows/system32/cmd.exe exited; CPU time 3298.968750
12:59:31 (20148): 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: 48209593 bytes.
Dumping objects ->
{3835416} normal block at 0x000002B56D5C0C70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x000002B56D5C0C00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x000002B56D5C0F80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x000002B56D5C11B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002B56D5C14C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x000002B56D6B68E0, 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) : {3835328} normal block at 0x000002B56BB37D90, 8 bytes long.
 Data: <  Dm&#181;   > 00 00 44 6D B5 02 00 00 
{3833949} normal block at 0x000002B56BB37750, 8 bytes long.
 Data: <&#224;&#225;&#193;k&#181;   > E0 E1 C1 6B B5 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002B56BB44F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B56BB2BAE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002B56BB463A0, 16 bytes long.
 Data: <8q&#180;k&#181;           > 38 71 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B56BB46800, 16 bytes long.
 Data: < q&#180;k&#181;           > 10 71 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B56BB3D520, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002B56BB46350, 16 bytes long.
 Data: <&#232;p&#180;k&#181;           > E8 70 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B56BB46990, 16 bytes long.
 Data: <&#192;p&#180;k&#181;           > C0 70 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B56BB46300, 16 bytes long.
 Data: < p&#180;k&#181;           > 98 70 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B56BB467B0, 16 bytes long.
 Data: <pp&#180;k&#181;           > 70 70 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B56BB3C1F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002B56BB46530, 16 bytes long.
 Data: < \ k&#181;           > 08 5C B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B56BB3D640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002B56BB463F0, 16 bytes long.
 Data: <&#224;[ k&#181;           > E0 5B B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B56BB46BC0, 16 bytes long.
 Data: <&#184;[ k&#181;           > B8 5B B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B56BB462B0, 16 bytes long.
 Data: < [ k&#181;           > 90 5B B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B56BB46760, 16 bytes long.
 Data: <h[ k&#181;           > 68 5B B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B56BB466C0, 16 bytes long.
 Data: <@[ k&#181;           > 40 5B B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B56BB461C0, 16 bytes long.
 Data: < [ k&#181;           > 18 5B B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B56BB3D9A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002B56BB468F0, 16 bytes long.
 Data: <&#240;Z k&#181;           > F0 5A B2 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B56BB25AF0, 320 bytes long.
 Data: <&#240;h&#180;k&#181;   &#160;&#217;&#179;k&#181;   > F0 68 B4 6B B5 02 00 00 A0 D9 B3 6B B5 02 00 00 
{270} normal block at 0x000002B56BB46120, 16 bytes long.
 Data: <Pp&#180;k&#181;           > 50 70 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B56BB46670, 16 bytes long.
 Data: <(p&#180;k&#181;           > 28 70 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B56BB3DA60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002B56BB45EF0, 16 bytes long.
 Data: < p&#180;k&#181;           > 00 70 B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B56BB3D4C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002B56BB46170, 16 bytes long.
 Data: <Ho&#180;k&#181;           > 48 6F B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B56BB45E50, 16 bytes long.
 Data: < o&#180;k&#181;           > 20 6F B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B56BB460D0, 16 bytes long.
 Data: <&#248;n&#180;k&#181;           > F8 6E B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B56BB46850, 16 bytes long.
 Data: <&#208;n&#180;k&#181;           > D0 6E B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B56BB46D00, 16 bytes long.
 Data: <&#168;n&#180;k&#181;           > A8 6E B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B56BB46AD0, 16 bytes long.
 Data: < n&#180;k&#181;           > 80 6E B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B56BB46710, 16 bytes long.
 Data: <@&#195;&#179;k&#181;           > 40 C3 B3 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B56BB3C340, 40 bytes long.
 Data: < g&#180;k&#181;   &#224;hkm&#181;   > 10 67 B4 6B B5 02 00 00 E0 68 6B 6D B5 02 00 00 
{256} normal block at 0x000002B56BB46260, 16 bytes long.
 Data: <`n&#180;k&#181;           > 60 6E B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B56BB46D50, 16 bytes long.
 Data: <8n&#180;k&#181;           > 38 6E B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002B56BB3DCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002B56BB46080, 16 bytes long.
 Data: < n&#180;k&#181;           > 10 6E B4 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B56BB46E10, 992 bytes long.
 Data: < `&#180;k&#181;   &#160;&#220;&#179;k&#181;   > 80 60 B4 6B B5 02 00 00 A0 DC B3 6B B5 02 00 00 
{88} normal block at 0x000002B56BB3E120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002B56BB37430, 16 bytes long.
 Data: <&#192;&#191;&#179;k&#181;           > C0 BF B3 6B B5 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002B56BB3BFC0, 40 bytes long.
 Data: <0t&#179;k&#181;    &#225;&#179;k&#181;   > 30 74 B3 6B B5 02 00 00 20 E1 B3 6B B5 02 00 00 
{65} normal block at 0x000002B56BB377A0, 16 bytes long.
 Data: < &#234;&#204;P&#247;           > 80 EA CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B56BB37C50, 16 bytes long.
 Data: <@&#233;&#204;P&#247;           > 40 E9 CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B56BB37610, 16 bytes long.
 Data: <&#248;W&#201;P&#247;           > F8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B56BB373E0, 16 bytes long.
 Data: <&#216;W&#201;P&#247;           > D8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B56BB38100, 16 bytes long.
 Data: <P &#201;P&#247;           > 50 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B56BB37F20, 16 bytes long.
 Data: <0 &#201;P&#247;           > 30 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B56BB37520, 16 bytes long.
 Data: <&#224; &#201;P&#247;           > E0 02 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B56BB38060, 16 bytes long.
 Data: <  &#201;P&#247;           > 10 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002B56BB38010, 16 bytes long.
 Data: <p &#201;P&#247;           > 70 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002B56BB377F0, 16 bytes long.
 Data: < &#192;&#199;P&#247;           > 18 C0 C7 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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