Task 38681980

Name test_265-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8375_1
Workunit 31620211
Created 27 Oct 2026, 6:04:52 UTC
Sent 27 Oct 2026, 6:04:56 UTC
Report deadline 1 Nov 2026, 6:04:56 UTC
Received 27 Oct 2026, 7:12:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648153
Run time 1 hours 3 min 9 sec
CPU time 55 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.83 MB
Peak swap size 6.86 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:11:50 (49696): wrapper (7.9.26016): starting
01:11:50 (49696): 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
01:11:54 (49696): Library/usr/bin/tar.exe exited; CPU time 0.046875
01:11:54 (49696): 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
02:12:17 (49696): C:/Windows/system32/cmd.exe exited; CPU time 3316.609375
02:12:17 (49696): 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: 96923619 bytes.
Dumping objects ->
{3835249} normal block at 0x0000011A1B5B6C00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000011A1B5B6500, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000011A1B5B61F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x0000011A1B5B6EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000011A1B5B67A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x0000011A1D110BD0, 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) : {3835161} normal block at 0x0000011A1B4DC5F0, 8 bytes long.
 Data: <  &#180;     > 00 00 B4 1B 1A 01 00 00 
{3833977} normal block at 0x0000011A1B4DC5A0, 8 bytes long.
 Data: < &#230;[     > 20 E6 5B 1B 1A 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000011A1B4E2B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000011A1B4D8140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000011A1B4E73A0, 16 bytes long.
 Data: <&#248;&#132;N             > F8 84 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000011A1B4E7BC0, 16 bytes long.
 Data: <&#208;&#132;N             > D0 84 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000011A1B4E09E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000011A1B4E7C10, 16 bytes long.
 Data: <&#168;&#132;N             > A8 84 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000011A1B4E7440, 16 bytes long.
 Data: < &#132;N             > 80 84 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000011A1B4E7B70, 16 bytes long.
 Data: <X&#132;N             > 58 84 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000011A1B4E7DF0, 16 bytes long.
 Data: <0&#132;N             > 30 84 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000011A1B4E56C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000011A1B4E7350, 16 bytes long.
 Data: <H&#198;L             > 48 C6 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000011A1B4E0B60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000011A1B4E7A30, 16 bytes long.
 Data: < &#198;L             > 20 C6 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000011A1B4E75D0, 16 bytes long.
 Data: <&#248;&#197;L             > F8 C5 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000011A1B4E7F30, 16 bytes long.
 Data: <&#208;&#197;L             > D0 C5 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000011A1B4E79E0, 16 bytes long.
 Data: <&#168;&#197;L             > A8 C5 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000011A1B4E77B0, 16 bytes long.
 Data: < &#197;L             > 80 C5 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000011A1B4E7990, 16 bytes long.
 Data: <X&#197;L             > 58 C5 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000011A1B4E0D40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x0000011A1B4E8070, 16 bytes long.
 Data: <0&#197;L             > 30 C5 4C 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011A1B4CC530, 320 bytes long.
 Data: <p N     @ N     > 70 80 4E 1B 1A 01 00 00 40 0D 4E 1B 1A 01 00 00 
{284} normal block at 0x0000011A1B4E7210, 16 bytes long.
 Data: < &#132;N             > 10 84 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011A1B4E8160, 16 bytes long.
 Data: <&#232;&#131;N             > E8 83 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000011A1B4E0980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000011A1B4E7B20, 16 bytes long.
 Data: <&#192;&#131;N             > C0 83 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000011A1B4E0680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000011A1B4E8110, 16 bytes long.
 Data: < &#131;N             > 08 83 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000011A1B4E7DA0, 16 bytes long.
 Data: <&#224;&#130;N             > E0 82 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000011A1B4E7260, 16 bytes long.
 Data: <&#184;&#130;N             > B8 82 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000011A1B4E7D00, 16 bytes long.
 Data: < &#130;N             > 90 82 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011A1B4E80C0, 16 bytes long.
 Data: <h&#130;N             > 68 82 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000011A1B4E7300, 16 bytes long.
 Data: <@&#130;N             > 40 82 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000011A1B4E78A0, 16 bytes long.
 Data: <&#160;WN             > A0 57 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000011A1B4E57A0, 40 bytes long.
 Data: <&#160;xN     &#208;       > A0 78 4E 1B 1A 01 00 00 D0 0B 11 1D 1A 01 00 00 
{270} normal block at 0x0000011A1B4E7AD0, 16 bytes long.
 Data: < &#130;N             > 20 82 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000011A1B4E72B0, 16 bytes long.
 Data: <&#248; N             > F8 81 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000011A1B4E06E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000011A1B4E7CB0, 16 bytes long.
 Data: <&#208; N             > D0 81 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000011A1B4E81D0, 992 bytes long.
 Data: <&#176;|N     &#224; N     > B0 7C 4E 1B 1A 01 00 00 E0 06 4E 1B 1A 01 00 00 
{102} normal block at 0x0000011A1B4E0E60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000011A1B4DC4B0, 16 bytes long.
 Data: <0WN             > 30 57 4E 1B 1A 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000011A1B4E5730, 40 bytes long.
 Data: <&#176;&#196;M     ` N     > B0 C4 4D 1B 1A 01 00 00 60 0E 4E 1B 1A 01 00 00 
{79} normal block at 0x0000011A1B4DBBF0, 16 bytes long.
 Data: < &#234;&#130;M&#246;           > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000011A1B4DBB50, 16 bytes long.
 Data: <@&#233;&#130;M&#246;           > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000011A1B4DC410, 16 bytes long.
 Data: <&#248;W M&#246;           > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000011A1B4DC2D0, 16 bytes long.
 Data: <&#216;W M&#246;           > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000011A1B4DC320, 16 bytes long.
 Data: <P  M&#246;           > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000011A1B4DB920, 16 bytes long.
 Data: <0  M&#246;           > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000011A1B4DC050, 16 bytes long.
 Data: <&#224;  M&#246;           > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000011A1B4DB8D0, 16 bytes long.
 Data: <   M&#246;           > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000011A1B4DC0F0, 16 bytes long.
 Data: <p  M&#246;           > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000011A1B4DBD80, 16 bytes long.
 Data: < &#192;}M&#246;           > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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