Task 38688964

Name test_265-GPUGRID_TEST_ATM_1000_20261023-0-1-RND5872_1
Workunit 31591102
Created 28 Oct 2026, 17:16:04 UTC
Sent 28 Oct 2026, 17:16:10 UTC
Report deadline 2 Nov 2026, 17:16:10 UTC
Received 28 Oct 2026, 17:56:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 27 min 35 sec
CPU time 17 min 25 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.69 MB
Peak swap size 13.15 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:28:15 (23984): wrapper (7.9.26016): starting
10:28:15 (23984): 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
10:28:25 (23984): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:28:25 (23984): 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
10:56:12 (23984): C:/Windows/system32/cmd.exe exited; CPU time 1045.031250
10:56:12 (23984): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 22502447 bytes.
Dumping objects ->
{3835240} normal block at 0x000002D935884DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002D935884E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002D935884F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000002D935884D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002D935884CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002D937749580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002D9358AA920, 155 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) : {3835151} normal block at 0x000002D93587EE10, 8 bytes long.
 Data: <  &#244;5&#217;   > 00 00 F4 35 D9 02 00 00 
{3834548} normal block at 0x000002D9358AA840, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002D93587EFF0, 8 bytes long.
 Data: <`&#130;s7&#217;   > 60 82 73 37 D9 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002D935881830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002D935875F00, 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 0x000002D935885D90, 16 bytes long.
 Data: <8j 5&#217;           > 38 6A 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D935885F20, 16 bytes long.
 Data: < j 5&#217;           > 10 6A 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002D9358800C0, 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 0x000002D935885C00, 16 bytes long.
 Data: <&#232;i 5&#217;           > E8 69 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D9358860B0, 16 bytes long.
 Data: <&#192;i 5&#217;           > C0 69 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D935886150, 16 bytes long.
 Data: < i 5&#217;           > 98 69 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D935885A20, 16 bytes long.
 Data: <pi 5&#217;           > 70 69 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D935884AE0, 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 0x000002D9358862E0, 16 bytes long.
 Data: <&#232; &#135;5&#217;           > E8 90 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D935880300, 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 0x000002D935885AC0, 16 bytes long.
 Data: <&#192; &#135;5&#217;           > C0 90 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D9358864C0, 16 bytes long.
 Data: <  &#135;5&#217;           > 98 90 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D935885D40, 16 bytes long.
 Data: <p &#135;5&#217;           > 70 90 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D935885890, 16 bytes long.
 Data: <H &#135;5&#217;           > 48 90 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D935886100, 16 bytes long.
 Data: <  &#135;5&#217;           > 20 90 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D9358861F0, 16 bytes long.
 Data: <&#248; &#135;5&#217;           > F8 8F 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D935880060, 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 0x000002D935886290, 16 bytes long.
 Data: <&#208; &#135;5&#217;           > D0 8F 87 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D935878FD0, 320 bytes long.
 Data: < b 5&#217;   `  5&#217;   > 90 62 88 35 D9 02 00 00 60 00 88 35 D9 02 00 00 
{274} normal block at 0x000002D935885E80, 16 bytes long.
 Data: <Pi 5&#217;           > 50 69 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D9358859D0, 16 bytes long.
 Data: <(i 5&#217;           > 28 69 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D93587FE20, 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 0x000002D935885BB0, 16 bytes long.
 Data: < i 5&#217;           > 00 69 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D93587FC40, 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 0x000002D935885CA0, 16 bytes long.
 Data: <Hh 5&#217;           > 48 68 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D935886650, 16 bytes long.
 Data: < h 5&#217;           > 20 68 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D935886600, 16 bytes long.
 Data: <&#248;g 5&#217;           > F8 67 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D935885840, 16 bytes long.
 Data: <&#208;g 5&#217;           > D0 67 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D935885930, 16 bytes long.
 Data: <&#168;g 5&#217;           > A8 67 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D9358865B0, 16 bytes long.
 Data: < g 5&#217;           > 80 67 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D935885E30, 16 bytes long.
 Data: <&#176;O 5&#217;           > B0 4F 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D935884FB0, 40 bytes long.
 Data: <0^ 5&#217;    &#149;t7&#217;   > 30 5E 88 35 D9 02 00 00 80 95 74 37 D9 02 00 00 
{260} normal block at 0x000002D935886470, 16 bytes long.
 Data: <`g 5&#217;           > 60 67 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D9358861A0, 16 bytes long.
 Data: <8g 5&#217;           > 38 67 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D93587FD00, 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 0x000002D935885DE0, 16 bytes long.
 Data: < g 5&#217;           > 10 67 88 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D935886710, 992 bytes long.
 Data: <&#224;] 5&#217;    &#253;&#135;5&#217;   > E0 5D 88 35 D9 02 00 00 00 FD 87 35 D9 02 00 00 
{92} normal block at 0x000002D935880180, 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 0x000002D93587ED20, 16 bytes long.
 Data: <&#176;&#199;&#134;5&#217;           > B0 C7 86 35 D9 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002D93586C7B0, 40 bytes long.
 Data: < &#237;&#135;5&#217;      5&#217;   > 20 ED 87 35 D9 02 00 00 80 01 88 35 D9 02 00 00 
{69} normal block at 0x000002D93587EE60, 16 bytes long.
 Data: < &#234;}{&#246;           > 80 EA 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D93587F220, 16 bytes long.
 Data: <@&#233;}{&#246;           > 40 E9 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D93587F770, 16 bytes long.
 Data: <&#248;Wz{&#246;           > F8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D93587F270, 16 bytes long.
 Data: <&#216;Wz{&#246;           > D8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D93587EDC0, 16 bytes long.
 Data: <P z{&#246;           > 50 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D93587F860, 16 bytes long.
 Data: <0 z{&#246;           > 30 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D93587EFA0, 16 bytes long.
 Data: <&#224; z{&#246;           > E0 02 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D93587EC80, 16 bytes long.
 Data: <  z{&#246;           > 10 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D93587EC30, 16 bytes long.
 Data: <p z{&#246;           > 70 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D93587F040, 16 bytes long.
 Data: < &#192;x{&#246;           > 18 C0 78 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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