Task 38662928

Name test_609-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8489_0
Workunit 31606160
Created 24 Oct 2026, 21:08:12 UTC
Sent 24 Oct 2026, 21:08:14 UTC
Report deadline 29 Oct 2026, 21:08:14 UTC
Received 25 Oct 2026, 9:12:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640448
Run time 28 min 49 sec
CPU time 27 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 769.35 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>
09:43:21 (2784): wrapper (7.9.26016): starting
09:43:21 (2784): 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
09:43:22 (2784): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:43:22 (2784): 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
10:11:13 (2784): C:/Windows/system32/cmd.exe exited; CPU time 1626.062500
10:11:13 (2784): 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: 24445927 bytes.
Dumping objects ->
{3835418} normal block at 0x000001A75A3A4930, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x000001A75A3A48C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835396} normal block at 0x000001A75A3A4850, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835385} normal block at 0x000001A75A3A4620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835374} normal block at 0x000001A75A3A47E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835343} normal block at 0x000001A75C0E5E40, 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) : {3835330} normal block at 0x000001A75A3A06B0, 8 bytes long.
 Data: <  2Z&#167;   > 00 00 32 5A A7 01 00 00 
{3833957} normal block at 0x000001A75A3A0250, 8 bytes long.
 Data: <&#208;6 \&#167;   > D0 36 17 5C A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A75A38FE60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A75A397380, 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 0x000001A75A3A5DD0, 16 bytes long.
 Data: <&#184;a:Z&#167;           > B8 61 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A75A3A4FC0, 16 bytes long.
 Data: < a:Z&#167;           > 90 61 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A75A3A0DE0, 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 0x000001A75A3A4ED0, 16 bytes long.
 Data: <ha:Z&#167;           > 68 61 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A75A3A5600, 16 bytes long.
 Data: <@a:Z&#167;           > 40 61 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A75A3A5100, 16 bytes long.
 Data: < a:Z&#167;           > 18 61 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A75A3A5D80, 16 bytes long.
 Data: <&#240;`:Z&#167;           > F0 60 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A75A39F830, 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 0x000001A75A3A51F0, 16 bytes long.
 Data: <&#200;&#247;9Z&#167;           > C8 F7 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A75A3A1740, 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 0x000001A75A3A5C40, 16 bytes long.
 Data: <&#160;&#247;9Z&#167;           > A0 F7 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A75A3A5B50, 16 bytes long.
 Data: <x&#247;9Z&#167;           > 78 F7 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A75A3A5510, 16 bytes long.
 Data: <P&#247;9Z&#167;           > 50 F7 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A75A3A55B0, 16 bytes long.
 Data: <(&#247;9Z&#167;           > 28 F7 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A75A3A5AB0, 16 bytes long.
 Data: < &#247;9Z&#167;           > 00 F7 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A75A3A4F20, 16 bytes long.
 Data: <&#216;&#246;9Z&#167;           > D8 F6 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A75A3A0E40, 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 0x000001A75A3A5920, 16 bytes long.
 Data: <&#176;&#246;9Z&#167;           > B0 F6 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A75A39F6B0, 320 bytes long.
 Data: < Y:Z&#167;   @ :Z&#167;   > 20 59 3A 5A A7 01 00 00 40 0E 3A 5A A7 01 00 00 
{274} normal block at 0x000001A75A3A5240, 16 bytes long.
 Data: <&#208;`:Z&#167;           > D0 60 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A75A3A58D0, 16 bytes long.
 Data: <&#168;`:Z&#167;           > A8 60 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A75A3A0D20, 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 0x000001A75A3A5010, 16 bytes long.
 Data: < `:Z&#167;           > 80 60 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A75A3A0C60, 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 0x000001A75A3A5830, 16 bytes long.
 Data: <&#200;_:Z&#167;           > C8 5F 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A75A3A5A60, 16 bytes long.
 Data: <&#160;_:Z&#167;           > A0 5F 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A75A3A56A0, 16 bytes long.
 Data: <x_:Z&#167;           > 78 5F 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A75A3A5150, 16 bytes long.
 Data: <P_:Z&#167;           > 50 5F 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A75A3A51A0, 16 bytes long.
 Data: <(_:Z&#167;           > 28 5F 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A75A3A5D30, 16 bytes long.
 Data: < _:Z&#167;           > 00 5F 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A75A3A5880, 16 bytes long.
 Data: <&#240;E9Z&#167;           > F0 45 39 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A75A3945F0, 40 bytes long.
 Data: < X:Z&#167;   @^ \&#167;   > 80 58 3A 5A A7 01 00 00 40 5E 0E 5C A7 01 00 00 
{260} normal block at 0x000001A75A3A5BF0, 16 bytes long.
 Data: <&#224;^:Z&#167;           > E0 5E 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A75A3A52E0, 16 bytes long.
 Data: <&#184;^:Z&#167;           > B8 5E 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A75A3A0C00, 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 0x000001A75A3A5650, 16 bytes long.
 Data: < ^:Z&#167;           > 90 5E 3A 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A75A3A5E90, 992 bytes long.
 Data: <PV:Z&#167;     :Z&#167;   > 50 56 3A 5A A7 01 00 00 00 0C 3A 5A A7 01 00 00 
{92} normal block at 0x000001A75A3A0BA0, 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 0x000001A75A3A0520, 16 bytes long.
 Data: <`&#199;8Z&#167;           > 60 C7 38 5A A7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001A75A38C760, 40 bytes long.
 Data: <  :Z&#167;   &#160; :Z&#167;   > 20 05 3A 5A A7 01 00 00 A0 0B 3A 5A A7 01 00 00 
{69} normal block at 0x000001A75A3A0750, 16 bytes long.
 Data: < &#234;8 &#247;           > 80 EA 38 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A75A39FC60, 16 bytes long.
 Data: <@&#233;8 &#247;           > 40 E9 38 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A75A3A04D0, 16 bytes long.
 Data: <&#248;W5 &#247;           > F8 57 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A75A3A0840, 16 bytes long.
 Data: <&#216;W5 &#247;           > D8 57 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A75A39FF80, 16 bytes long.
 Data: <P 5 &#247;           > 50 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A75A3A03E0, 16 bytes long.
 Data: <0 5 &#247;           > 30 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A75A39FCB0, 16 bytes long.
 Data: <&#224; 5 &#247;           > E0 02 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A75A39F940, 16 bytes long.
 Data: <  5 &#247;           > 10 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A75A39FDA0, 16 bytes long.
 Data: <p 5 &#247;           > 70 04 35 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A75A39FFD0, 16 bytes long.
 Data: < &#192;3 &#247;           > 18 C0 33 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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