Task 38668511

Name test_2-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND3047_1
Workunit 31610954
Created 25 Oct 2026, 11:58:23 UTC
Sent 25 Oct 2026, 11:58:26 UTC
Report deadline 30 Oct 2026, 11:58:26 UTC
Received 25 Oct 2026, 12:31:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 27 min 55 sec
CPU time 26 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.04 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:03:55 (16532): wrapper (7.9.26016): starting
13:03:55 (16532): 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
13:03:56 (16532): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:03:56 (16532): 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 'G:\BOINC\DATA\slots\8\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 'G:\BOINC\DATA\slots\8\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
13:31:04 (16532): C:/Windows/system32/cmd.exe exited; CPU time 1611.750000
13:31:04 (16532): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 25667929 bytes.
Dumping objects ->
{3835187} normal block at 0x000001FEFC596E50, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x000001FEFE27FC80, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x000001FEFE2803A0, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x000001FEFE2807C0, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x000001FEFE2812A0, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x000001FEFC596C20, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000001FEFC58DC60, 8 bytes long.
 Data: <  R&#252;&#254;   > 00 00 52 FC FE 01 00 00 
{3833951} normal block at 0x000001FEFC58E5C0, 8 bytes long.
 Data: <p=)&#254;&#254;   > 70 3D 29 FE FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FEFC591CB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FEFC586A90, 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 0x000001FEFC595AB0, 16 bytes long.
 Data: < fY&#252;&#254;           > 08 66 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FEFC5954C0, 16 bytes long.
 Data: <&#224;eY&#252;&#254;           > E0 65 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FEFC58F4A0, 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 0x000001FEFC595880, 16 bytes long.
 Data: <&#184;eY&#252;&#254;           > B8 65 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FEFC595CE0, 16 bytes long.
 Data: < eY&#252;&#254;           > 90 65 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FEFC595E70, 16 bytes long.
 Data: <heY&#252;&#254;           > 68 65 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FEFC595790, 16 bytes long.
 Data: <@eY&#252;&#254;           > 40 65 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FEFC5967C0, 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 0x000001FEFC595D80, 16 bytes long.
 Data: <&#232;&#242;W&#252;&#254;           > E8 F2 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FEFC5900A0, 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 0x000001FEFC5951F0, 16 bytes long.
 Data: <&#192;&#242;W&#252;&#254;           > C0 F2 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FEFC595560, 16 bytes long.
 Data: < &#242;W&#252;&#254;           > 98 F2 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FEFC595920, 16 bytes long.
 Data: <p&#242;W&#252;&#254;           > 70 F2 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FEFC595150, 16 bytes long.
 Data: <H&#242;W&#252;&#254;           > 48 F2 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FEFC5950B0, 16 bytes long.
 Data: < &#242;W&#252;&#254;           > 20 F2 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FEFC595380, 16 bytes long.
 Data: <&#248;&#241;W&#252;&#254;           > F8 F1 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FEFC58FFE0, 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 0x000001FEFC595740, 16 bytes long.
 Data: <&#208;&#241;W&#252;&#254;           > D0 F1 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FEFC57F1D0, 320 bytes long.
 Data: <@WY&#252;&#254;   &#224; X&#252;&#254;   > 40 57 59 FC FE 01 00 00 E0 FF 58 FC FE 01 00 00 
{271} normal block at 0x000001FEFC5958D0, 16 bytes long.
 Data: < eY&#252;&#254;           > 20 65 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FEFC595010, 16 bytes long.
 Data: <&#248;dY&#252;&#254;           > F8 64 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FEFC58F920, 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 0x000001FEFC594FC0, 16 bytes long.
 Data: <&#208;dY&#252;&#254;           > D0 64 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FEFC58F7A0, 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 0x000001FEFC5951A0, 16 bytes long.
 Data: < dY&#252;&#254;           > 18 64 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FEFC595100, 16 bytes long.
 Data: <&#240;cY&#252;&#254;           > F0 63 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FEFC595B50, 16 bytes long.
 Data: <&#200;cY&#252;&#254;           > C8 63 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FEFC595290, 16 bytes long.
 Data: <&#160;cY&#252;&#254;           > A0 63 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FEFC595E20, 16 bytes long.
 Data: <xcY&#252;&#254;           > 78 63 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FEFC595D30, 16 bytes long.
 Data: <PcY&#252;&#254;           > 50 63 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FEFC5956F0, 16 bytes long.
 Data: <`&#241;W&#252;&#254;           > 60 F1 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FEFC57F160, 40 bytes long.
 Data: <&#240;VY&#252;&#254;    lY&#252;&#254;   > F0 56 59 FC FE 01 00 00 20 6C 59 FC FE 01 00 00 
{257} normal block at 0x000001FEFC5959C0, 16 bytes long.
 Data: <0cY&#252;&#254;           > 30 63 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FEFC5953D0, 16 bytes long.
 Data: < cY&#252;&#254;           > 08 63 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FEFC58FF20, 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 0x000001FEFC594F20, 16 bytes long.
 Data: <&#224;bY&#252;&#254;           > E0 62 59 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FEFC5962E0, 992 bytes long.
 Data: < OY&#252;&#254;     X&#252;&#254;   > 20 4F 59 FC FE 01 00 00 20 FF 58 FC FE 01 00 00 
{89} normal block at 0x000001FEFC58F9E0, 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 0x000001FEFC58E610, 16 bytes long.
 Data: < &#215;W&#252;&#254;           > 90 D7 57 FC FE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001FEFC57D790, 40 bytes long.
 Data: < &#230;X&#252;&#254;   &#224;&#249;X&#252;&#254;   > 10 E6 58 FC FE 01 00 00 E0 F9 58 FC FE 01 00 00 
{66} normal block at 0x000001FEFC58E570, 16 bytes long.
 Data: < &#234; &#236;&#246;           > 80 EA 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FEFC58DAD0, 16 bytes long.
 Data: <@&#233; &#236;&#246;           > 40 E9 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FEFC58DCB0, 16 bytes long.
 Data: <&#248;W&#141;&#236;&#246;           > F8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FEFC58DA80, 16 bytes long.
 Data: <&#216;W&#141;&#236;&#246;           > D8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FEFC58E250, 16 bytes long.
 Data: <P &#141;&#236;&#246;           > 50 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FEFC58E480, 16 bytes long.
 Data: <0 &#141;&#236;&#246;           > 30 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FEFC58E390, 16 bytes long.
 Data: <&#224; &#141;&#236;&#246;           > E0 02 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FEFC58D7B0, 16 bytes long.
 Data: <  &#141;&#236;&#246;           > 10 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FEFC58D940, 16 bytes long.
 Data: <p &#141;&#236;&#246;           > 70 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FEFC58D9E0, 16 bytes long.
 Data: < &#192;&#139;&#236;&#246;           > 18 C0 8B EC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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