Task 38677789

Name test_177-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7570_0
Workunit 31619645
Created 26 Oct 2026, 15:24:49 UTC
Sent 26 Oct 2026, 15:24:56 UTC
Report deadline 31 Oct 2026, 15:24:56 UTC
Received 26 Oct 2026, 15:56:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 22 min 59 sec
CPU time 21 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.67 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:34:28 (12572): wrapper (7.9.26016): starting
16:34:28 (12572): 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
16:34:29 (12572): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:34:29 (12572): 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\2\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\2\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
16:56:37 (12572): C:/Windows/system32/cmd.exe exited; CPU time 1267.671875
16:56:37 (12572): 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: 20183631 bytes.
Dumping objects ->
{3835250} normal block at 0x0000019882F91020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000019882F91100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000019882F913A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000019882F91330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000019882F90CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001988303C8F0, 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) : {3835162} normal block at 0x00000198813267B0, 8 bytes long.
 Data: <  &#229;&#130;    > 00 00 E5 82 98 01 00 00 
{3833957} normal block at 0x0000019881326940, 8 bytes long.
 Data: <` &#252;&#130;    > 60 08 FC 82 98 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000198813313C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000198813322C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000198813326D0, 16 bytes long.
 Data: <(<3             > 28 3C 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019881333030, 16 bytes long.
 Data: < <3             > 00 3C 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001988132B750, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000019881332FE0, 16 bytes long.
 Data: <&#216;;3             > D8 3B 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019881332F90, 16 bytes long.
 Data: <&#176;;3             > B0 3B 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019881333300, 16 bytes long.
 Data: < ;3             > 88 3B 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019881333490, 16 bytes long.
 Data: <`;3             > 60 3B 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001988132D2C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000019881332860, 16 bytes long.
 Data: <(&#198;1             > 28 C6 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001988132B6F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000019881332EF0, 16 bytes long.
 Data: < &#198;1             > 00 C6 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019881332D60, 16 bytes long.
 Data: <&#216;&#197;1             > D8 C5 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019881333440, 16 bytes long.
 Data: <&#176;&#197;1             > B0 C5 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019881332720, 16 bytes long.
 Data: < &#197;1             > 88 C5 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019881332950, 16 bytes long.
 Data: <`&#197;1             > 60 C5 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019881333170, 16 bytes long.
 Data: <8&#197;1             > 38 C5 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001988132C350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000019881332D10, 16 bytes long.
 Data: < &#197;1             > 10 C5 31 81 98 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001988131C510, 320 bytes long.
 Data: < -3     P&#195;2     > 10 2D 33 81 98 01 00 00 50 C3 32 81 98 01 00 00 
{274} normal block at 0x0000019881332CC0, 16 bytes long.
 Data: <@;3             > 40 3B 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000198813327C0, 16 bytes long.
 Data: < ;3             > 18 3B 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001988132C4D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000198813330D0, 16 bytes long.
 Data: <&#240;:3             > F0 3A 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001988132BDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000019881332C70, 16 bytes long.
 Data: <8:3             > 38 3A 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019881332C20, 16 bytes long.
 Data: < :3             > 10 3A 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019881333080, 16 bytes long.
 Data: <&#232;93             > E8 39 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019881332B80, 16 bytes long.
 Data: <&#192;93             > C0 39 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019881332B30, 16 bytes long.
 Data: < 93             > 98 39 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019881332EA0, 16 bytes long.
 Data: <p93             > 70 39 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019881332900, 16 bytes long.
 Data: <P&#210;2             > 50 D2 32 81 98 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001988132D250, 40 bytes long.
 Data: < )3     &#240;&#200; &#131;    > 00 29 33 81 98 01 00 00 F0 C8 03 83 98 01 00 00 
{260} normal block at 0x00000198813333F0, 16 bytes long.
 Data: <P93             > 50 39 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000198813329F0, 16 bytes long.
 Data: <(93             > 28 39 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001988132B5D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000019881332F40, 16 bytes long.
 Data: < 93             > 00 39 33 81 98 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019881333900, 992 bytes long.
 Data: <@/3     &#208;&#181;2     > 40 2F 33 81 98 01 00 00 D0 B5 32 81 98 01 00 00 
{92} normal block at 0x000001988132BE70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000019881326CB0, 16 bytes long.
 Data: < &#212;2             > 10 D4 32 81 98 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001988132D410, 40 bytes long.
 Data: <&#176;l2     p&#190;2     > B0 6C 32 81 98 01 00 00 70 BE 32 81 98 01 00 00 
{69} normal block at 0x0000019881326C10, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019881326760, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019881326850, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000198813270C0, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000198813268F0, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000198813269E0, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019881327340, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019881327570, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019881327520, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019881326990, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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