Task 38687347

Name test_991-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3066_0
Workunit 31628739
Created 28 Oct 2026, 7:17:44 UTC
Sent 28 Oct 2026, 7:17:49 UTC
Report deadline 2 Nov 2026, 7:17:49 UTC
Received 28 Oct 2026, 8:35:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 19 min 2 sec
CPU time 17 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.41 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:16:37 (18320): wrapper (7.9.26016): starting
03:16:37 (18320): 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
03:16:38 (18320): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:16:38 (18320): 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\11\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\11\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
03:34:32 (18320): C:/Windows/system32/cmd.exe exited; CPU time 1043.781250
03:34:32 (18320): 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: 20534795 bytes.
Dumping objects ->
{3835250} normal block at 0x000001D87400D0D0, 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 0x000001D872344320, 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 0x000001D8723446A0, 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 0x000001D8723445C0, 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 0x000001D872344240, 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 0x000001D874057D70, 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 0x000001D87233E600, 8 bytes long.
 Data: <  -r&#216;   > 00 00 2D 72 D8 01 00 00 
{3833961} normal block at 0x000001D87233E510, 8 bytes long.
 Data: < ;4r&#216;   > 90 3B 34 72 D8 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D872340F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D872336790, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001D8723457F0, 16 bytes long.
 Data: <&#168;c4r&#216;           > A8 63 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D872345890, 16 bytes long.
 Data: < c4r&#216;           > 80 63 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D87233F420, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001D872345E80, 16 bytes long.
 Data: <Xc4r&#216;           > 58 63 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D8723452A0, 16 bytes long.
 Data: <0c4r&#216;           > 30 63 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D872345160, 16 bytes long.
 Data: < c4r&#216;           > 08 63 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D872345F70, 16 bytes long.
 Data: <&#224;b4r&#216;           > E0 62 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D872344400, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001D8723457A0, 16 bytes long.
 Data: <H&#181;2r&#216;           > 48 B5 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D87233F8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001D872345700, 16 bytes long.
 Data: < &#181;2r&#216;           > 20 B5 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D872345CF0, 16 bytes long.
 Data: <&#248;&#180;2r&#216;           > F8 B4 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D8723456B0, 16 bytes long.
 Data: <&#208;&#180;2r&#216;           > D0 B4 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D872345CA0, 16 bytes long.
 Data: <&#168;&#180;2r&#216;           > A8 B4 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D872345E30, 16 bytes long.
 Data: < &#180;2r&#216;           > 80 B4 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D872345610, 16 bytes long.
 Data: <X&#180;2r&#216;           > 58 B4 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D87233FC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001D872345A70, 16 bytes long.
 Data: <0&#180;2r&#216;           > 30 B4 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D87232B430, 320 bytes long.
 Data: <pZ4r&#216;   `&#252;3r&#216;   > 70 5A 34 72 D8 01 00 00 60 FC 33 72 D8 01 00 00 
{276} normal block at 0x000001D872345250, 16 bytes long.
 Data: <&#192;b4r&#216;           > C0 62 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D872345C50, 16 bytes long.
 Data: < b4r&#216;           > 98 62 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D8723401A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001D8723459D0, 16 bytes long.
 Data: <pb4r&#216;           > 70 62 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D87233FEA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001D872345D40, 16 bytes long.
 Data: <&#184;a4r&#216;           > B8 61 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D872345340, 16 bytes long.
 Data: < a4r&#216;           > 90 61 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D872345DE0, 16 bytes long.
 Data: <ha4r&#216;           > 68 61 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D872346010, 16 bytes long.
 Data: <@a4r&#216;           > 40 61 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D8723455C0, 16 bytes long.
 Data: < a4r&#216;           > 18 61 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D872345C00, 16 bytes long.
 Data: <&#240;`4r&#216;           > F0 60 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D872345660, 16 bytes long.
 Data: <&#224;D4r&#216;           > E0 44 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D8723444E0, 40 bytes long.
 Data: <`V4r&#216;   p} t&#216;   > 60 56 34 72 D8 01 00 00 70 7D 05 74 D8 01 00 00 
{262} normal block at 0x000001D872345BB0, 16 bytes long.
 Data: <&#208;`4r&#216;           > D0 60 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D872345F20, 16 bytes long.
 Data: <&#168;`4r&#216;           > A8 60 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D87233F480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001D872345750, 16 bytes long.
 Data: < `4r&#216;           > 80 60 34 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D872346080, 992 bytes long.
 Data: <PW4r&#216;    &#244;3r&#216;   > 50 57 34 72 D8 01 00 00 80 F4 33 72 D8 01 00 00 
{94} normal block at 0x000001D87233FF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001D87233F000, 16 bytes long.
 Data: < &#229;2r&#216;           > 10 E5 32 72 D8 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D87232E510, 40 bytes long.
 Data: < &#240;3r&#216;   `&#255;3r&#216;   > 00 F0 33 72 D8 01 00 00 60 FF 33 72 D8 01 00 00 
{71} normal block at 0x000001D87233EF10, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D87233EBF0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D87233EE20, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D87233E420, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D87233E7E0, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D87233E880, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D87233EC40, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D87233E790, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D87233EB00, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D87233EB50, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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