Task 38678498

Name test_791-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8434_0
Workunit 31620314
Created 26 Oct 2026, 17:36:31 UTC
Sent 26 Oct 2026, 17:36:33 UTC
Report deadline 31 Oct 2026, 17:36:33 UTC
Received 26 Oct 2026, 20:42:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 35 min 8 sec
CPU time 35 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.94 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:10:17 (27576): wrapper (7.9.26016): starting
13:10:17 (27576): 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
13:10:18 (27576): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:10:18 (27576): 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\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 'C:\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
13:42:01 (27576): C:/Windows/system32/cmd.exe exited; CPU time 2108.703125
13:42:01 (27576): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 32419955 bytes.
Dumping objects ->
{3835233} normal block at 0x0000021FA3D71090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000021FA3D711E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000021FA3D71020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000021FA3D71330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000021FA3D70DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000021FA3E642A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000021FA3E7CD60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835144} normal block at 0x0000021FA21487F0, 8 bytes long.
 Data: <  &#184;&#163;    > 00 00 B8 A3 1F 02 00 00 
{3834540} normal block at 0x0000021FA3E7D2E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000021FA2148660, 8 bytes long.
 Data: < &#234;&#215;&#163;    > 00 EA D7 A3 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021FA2135F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021FA213B4F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000021FA21535F0, 16 bytes long.
 Data: < M &#162;            > 98 4D 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021FA2153550, 16 bytes long.
 Data: <pM &#162;            > 70 4D 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021FA214CA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000021FA21535A0, 16 bytes long.
 Data: <HM &#162;            > 48 4D 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FA21533C0, 16 bytes long.
 Data: < M &#162;            > 20 4D 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021FA2153370, 16 bytes long.
 Data: <&#248;L &#162;            > F8 4C 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FA21532D0, 16 bytes long.
 Data: <&#208;L &#162;            > D0 4C 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021FA214E500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000021FA2153280, 16 bytes long.
 Data: <h&#207; &#162;            > 68 CF 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021FA214D4A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000021FA21528D0, 16 bytes long.
 Data: <@&#207; &#162;            > 40 CF 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021FA21531E0, 16 bytes long.
 Data: < &#207; &#162;            > 18 CF 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021FA2153190, 16 bytes long.
 Data: <&#240;&#206; &#162;            > F0 CE 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FA21530F0, 16 bytes long.
 Data: <&#200;&#206; &#162;            > C8 CE 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021FA21530A0, 16 bytes long.
 Data: <&#160;&#206; &#162;            > A0 CE 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021FA2152FB0, 16 bytes long.
 Data: <x&#206; &#162;            > 78 CE 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021FA214D500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000021FA2153500, 16 bytes long.
 Data: <P&#206; &#162;            > 50 CE 13 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021FA213CE50, 320 bytes long.
 Data: < 5 &#162;     &#213; &#162;    > 00 35 15 A2 1F 02 00 00 00 D5 14 A2 1F 02 00 00 
{275} normal block at 0x0000021FA2153410, 16 bytes long.
 Data: <&#176;L &#162;            > B0 4C 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021FA2152F60, 16 bytes long.
 Data: < L &#162;            > 88 4C 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021FA214D2C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000021FA2152F10, 16 bytes long.
 Data: <`L &#162;            > 60 4C 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021FA214D1A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000021FA2153050, 16 bytes long.
 Data: <&#168;K &#162;            > A8 4B 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021FA2152D80, 16 bytes long.
 Data: < K &#162;            > 80 4B 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021FA2152EC0, 16 bytes long.
 Data: <XK &#162;            > 58 4B 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021FA21534B0, 16 bytes long.
 Data: <0K &#162;            > 30 4B 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021FA2152BA0, 16 bytes long.
 Data: < K &#162;            > 08 4B 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021FA2153460, 16 bytes long.
 Data: <&#224;J &#162;            > E0 4A 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021FA2152B50, 16 bytes long.
 Data: < &#225; &#162;            > 10 E1 14 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021FA214E110, 40 bytes long.
 Data: <P+ &#162;    &#160;B&#230;&#163;    > 50 2B 15 A2 1F 02 00 00 A0 42 E6 A3 1F 02 00 00 
{261} normal block at 0x0000021FA2152E70, 16 bytes long.
 Data: <&#192;J &#162;            > C0 4A 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021FA2152B00, 16 bytes long.
 Data: < J &#162;            > 98 4A 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021FA214C660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000021FA21526F0, 16 bytes long.
 Data: <pJ &#162;            > 70 4A 15 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021FA2154A70, 992 bytes long.
 Data: <&#240;& &#162;    `&#198; &#162;    > F0 26 15 A2 1F 02 00 00 60 C6 14 A2 1F 02 00 00 
{93} normal block at 0x0000021FA214CF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000021FA2147F80, 16 bytes long.
 Data: <&#176;&#227; &#162;            > B0 E3 14 A2 1F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000021FA214E3B0, 40 bytes long.
 Data: <   &#162;    `&#207; &#162;    > 80 7F 14 A2 1F 02 00 00 60 CF 14 A2 1F 02 00 00 
{70} normal block at 0x0000021FA2147D00, 16 bytes long.
 Data: < &#234; &#245;&#247;           > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021FA2148520, 16 bytes long.
 Data: <@&#233; &#245;&#247;           > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021FA2147CB0, 16 bytes long.
 Data: <&#248;W&#253;&#244;&#247;           > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021FA21478F0, 16 bytes long.
 Data: <&#216;W&#253;&#244;&#247;           > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021FA21487A0, 16 bytes long.
 Data: <P &#253;&#244;&#247;           > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021FA2147BC0, 16 bytes long.
 Data: <0 &#253;&#244;&#247;           > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021FA21482A0, 16 bytes long.
 Data: <&#224; &#253;&#244;&#247;           > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021FA2148750, 16 bytes long.
 Data: <  &#253;&#244;&#247;           > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021FA2148020, 16 bytes long.
 Data: <p &#253;&#244;&#247;           > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021FA21486B0, 16 bytes long.
 Data: < &#192;&#251;&#244;&#247;           > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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