Task 38668698

Name test_208-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1599_0
Workunit 31611154
Created 25 Oct 2026, 12:30:01 UTC
Sent 25 Oct 2026, 12:30:08 UTC
Report deadline 30 Oct 2026, 12:30:08 UTC
Received 25 Oct 2026, 13:18:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 620057
Run time 46 min 39 sec
CPU time 42 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.49 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:32:10 (20136): wrapper (7.9.26016): starting
14:32:10 (20136): 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
14:32:12 (20136): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:32:12 (20136): 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\0\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\0\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
15:17:34 (20136): C:/Windows/system32/cmd.exe exited; CPU time 2560.109375
15:17:34 (20136): 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: 39874553 bytes.
Dumping objects ->
{3835181} normal block at 0x0000018FD3901780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x0000018FD3901630, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000018FD39015C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x0000018FD3901CC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000018FD3901C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x0000018FD555AF80, 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) : {3835093} normal block at 0x0000018FD38FAE30, 8 bytes long.
 Data: <  &#140;&#211;    > 00 00 8C D3 8F 01 00 00 
{3833945} normal block at 0x0000018FD38FACF0, 8 bytes long.
 Data: <&#192;&#191;&#142;&#211;    > C0 BF 8E D3 8F 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000018FD38EE920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018FD38FD0B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000018FD3902870, 16 bytes long.
 Data: <&#184;4 &#211;            > B8 34 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018FD3902D20, 16 bytes long.
 Data: < 4 &#211;            > 90 34 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018FD38FDF40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000018FD3902780, 16 bytes long.
 Data: <h4 &#211;            > 68 34 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018FD3902B90, 16 bytes long.
 Data: <@4 &#211;            > 40 34 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018FD3902550, 16 bytes long.
 Data: < 4 &#211;            > 18 34 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018FD3902640, 16 bytes long.
 Data: <&#240;3 &#211;            > F0 33 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018FD39019B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000018FD3902960, 16 bytes long.
 Data: < &#229;&#142;&#211;            > 88 E5 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018FD38FD640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000018FD3902AA0, 16 bytes long.
 Data: <`&#229;&#142;&#211;            > 60 E5 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018FD3902B40, 16 bytes long.
 Data: <8&#229;&#142;&#211;            > 38 E5 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018FD3902500, 16 bytes long.
 Data: < &#229;&#142;&#211;            > 10 E5 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018FD3902A50, 16 bytes long.
 Data: <&#232;&#228;&#142;&#211;            > E8 E4 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018FD39021E0, 16 bytes long.
 Data: <&#192;&#228;&#142;&#211;            > C0 E4 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018FD3902320, 16 bytes long.
 Data: < &#228;&#142;&#211;            > 98 E4 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018FD38FD6A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000018FD3901E70, 16 bytes long.
 Data: <p&#228;&#142;&#211;            > 70 E4 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018FD38EE470, 320 bytes long.
 Data: <p  &#211;    &#160;&#214; &#211;    > 70 1E 90 D3 8F 01 00 00 A0 D6 8F D3 8F 01 00 00 
{268} normal block at 0x0000018FD3902190, 16 bytes long.
 Data: <&#208;3 &#211;            > D0 33 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018FD3902C30, 16 bytes long.
 Data: <&#168;3 &#211;            > A8 33 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018FD38FD940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000018FD3902410, 16 bytes long.
 Data: < 3 &#211;            > 80 33 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018FD38FDE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000018FD3902000, 16 bytes long.
 Data: <&#200;2 &#211;            > C8 32 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018FD3902280, 16 bytes long.
 Data: <&#160;2 &#211;            > A0 32 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018FD3902AF0, 16 bytes long.
 Data: <x2 &#211;            > 78 32 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018FD39020A0, 16 bytes long.
 Data: <P2 &#211;            > 50 32 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018FD3902050, 16 bytes long.
 Data: <(2 &#211;            > 28 32 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018FD3902BE0, 16 bytes long.
 Data: < 2 &#211;            > 00 32 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018FD3901FB0, 16 bytes long.
 Data: <   &#211;            > 00 1B 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018FD3901B00, 40 bytes long.
 Data: <&#176;  &#211;     &#175;U&#213;    > B0 1F 90 D3 8F 01 00 00 80 AF 55 D5 8F 01 00 00 
{254} normal block at 0x0000018FD3902730, 16 bytes long.
 Data: <&#224;1 &#211;            > E0 31 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018FD3902140, 16 bytes long.
 Data: <&#184;1 &#211;            > B8 31 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000018FD38FD2E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000018FD39024B0, 16 bytes long.
 Data: < 1 &#211;            > 90 31 90 D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000018FD3903190, 992 bytes long.
 Data: <&#176;$ &#211;    &#224;&#210; &#211;    > B0 24 90 D3 8F 01 00 00 E0 D2 8F D3 8F 01 00 00 
{86} normal block at 0x0000018FD38FDB80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000018FD38FA840, 16 bytes long.
 Data: < &#171;&#142;&#211;            > 90 AB 8E D3 8F 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000018FD38EAB90, 40 bytes long.
 Data: <@&#168; &#211;     &#219; &#211;    > 40 A8 8F D3 8F 01 00 00 80 DB 8F D3 8F 01 00 00 
{63} normal block at 0x0000018FD38FADE0, 16 bytes long.
 Data: < &#234; &#225;&#247;           > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018FD38FAC00, 16 bytes long.
 Data: <@&#233; &#225;&#247;           > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018FD38FA8E0, 16 bytes long.
 Data: <&#248;W&#150;&#225;&#247;           > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018FD38FA340, 16 bytes long.
 Data: <&#216;W&#150;&#225;&#247;           > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018FD38FAD90, 16 bytes long.
 Data: <P &#150;&#225;&#247;           > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018FD38FABB0, 16 bytes long.
 Data: <0 &#150;&#225;&#247;           > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018FD38FA2F0, 16 bytes long.
 Data: <&#224; &#150;&#225;&#247;           > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018FD38FA610, 16 bytes long.
 Data: <  &#150;&#225;&#247;           > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000018FD38FA430, 16 bytes long.
 Data: <p &#150;&#225;&#247;           > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000018FD38FACA0, 16 bytes long.
 Data: < &#192;&#148;&#225;&#247;           > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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