Task 38688662

Name test_176-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND7215_0
Workunit 31629991
Created 28 Oct 2026, 15:27:08 UTC
Sent 28 Oct 2026, 15:27:15 UTC
Report deadline 2 Nov 2026, 15:27:15 UTC
Received 28 Oct 2026, 17:00:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 29 min 51 sec
CPU time 22 min 29 sec
Validate state Valid
Credit 60,000.00
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 746.89 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:30:56 (25112): wrapper (7.9.26016): starting
09:30:56 (25112): 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
09:30:57 (25112): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:30:57 (25112): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProtocolError('Connection aborted.', ConnectionResetError(10054, 'An existing connection was forcibly closed by the remote host', None, 10054, None))': /simple/pyaml/
  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
09:59:54 (25112): C:/Windows/system32/cmd.exe exited; CPU time 1349.000000
09:59:54 (25112): 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: 25921799 bytes.
Dumping objects ->
{3835240} normal block at 0x0000022B9AE265A0, 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 0x0000022B9AE26530, 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 0x0000022B9AE264C0, 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 0x0000022B9AE26760, 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 0x0000022B9AE26450, 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 0x0000022B9CABBBD0, 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 0x0000022B9CB15110, 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 0x0000022B9AE20830, 8 bytes long.
 Data: <  &#220;&#154;+   > 00 00 DC 9A 2B 02 00 00 
{3834548} normal block at 0x0000022B9CB14850, 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 0x0000022B9AE20380, 8 bytes long.
 Data: < [&#226;&#154;+   > 10 5B E2 9A 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022B9AE220D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022B9AE18430, 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 0x0000022B9AE270B0, 16 bytes long.
 Data: <&#200;{&#226;&#154;+           > C8 7B E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022B9AE275B0, 16 bytes long.
 Data: <&#160;{&#226;&#154;+           > A0 7B E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022B9AE217E0, 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 0x0000022B9AE277E0, 16 bytes long.
 Data: <x{&#226;&#154;+           > 78 7B E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022B9AE26CA0, 16 bytes long.
 Data: <P{&#226;&#154;+           > 50 7B E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022B9AE276F0, 16 bytes long.
 Data: <({&#226;&#154;+           > 28 7B E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B9AE26FC0, 16 bytes long.
 Data: < {&#226;&#154;+           > 00 7B E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022B9AE260D0, 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 0x0000022B9AE271A0, 16 bytes long.
 Data: <H &#225;&#154;+           > 48 03 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B9AE215A0, 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 0x0000022B9AE27240, 16 bytes long.
 Data: <  &#225;&#154;+           > 20 03 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B9AE27510, 16 bytes long.
 Data: <&#248; &#225;&#154;+           > F8 02 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B9AE26C50, 16 bytes long.
 Data: <&#208; &#225;&#154;+           > D0 02 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022B9AE27060, 16 bytes long.
 Data: <&#168; &#225;&#154;+           > A8 02 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022B9AE272E0, 16 bytes long.
 Data: <  &#225;&#154;+           > 80 02 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022B9AE27830, 16 bytes long.
 Data: <X &#225;&#154;+           > 58 02 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022B9AE21120, 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 0x0000022B9AE273D0, 16 bytes long.
 Data: <0 &#225;&#154;+           > 30 02 E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022B9AE10230, 320 bytes long.
 Data: <&#208;s&#226;&#154;+     &#226;&#154;+   > D0 73 E2 9A 2B 02 00 00 20 11 E2 9A 2B 02 00 00 
{274} normal block at 0x0000022B9AE26D90, 16 bytes long.
 Data: <&#224;z&#226;&#154;+           > E0 7A E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B9AE26980, 16 bytes long.
 Data: <&#184;z&#226;&#154;+           > B8 7A E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022B9AE21F00, 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 0x0000022B9AE26F70, 16 bytes long.
 Data: < z&#226;&#154;+           > 90 7A E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B9AE214E0, 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 0x0000022B9AE27790, 16 bytes long.
 Data: <&#216;y&#226;&#154;+           > D8 79 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B9AE27010, 16 bytes long.
 Data: <&#176;y&#226;&#154;+           > B0 79 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B9AE26E30, 16 bytes long.
 Data: < y&#226;&#154;+           > 88 79 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022B9AE27290, 16 bytes long.
 Data: <`y&#226;&#154;+           > 60 79 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B9AE27740, 16 bytes long.
 Data: <8y&#226;&#154;+           > 38 79 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022B9AE26D40, 16 bytes long.
 Data: < y&#226;&#154;+           > 10 79 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B9AE26930, 16 bytes long.
 Data: <&#208;g&#226;&#154;+           > D0 67 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022B9AE267D0, 40 bytes long.
 Data: <0i&#226;&#154;+   &#208;&#187;&#171;&#156;+   > 30 69 E2 9A 2B 02 00 00 D0 BB AB 9C 2B 02 00 00 
{260} normal block at 0x0000022B9AE26ED0, 16 bytes long.
 Data: <&#240;x&#226;&#154;+           > F0 78 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022B9AE26DE0, 16 bytes long.
 Data: <&#200;x&#226;&#154;+           > C8 78 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022B9AE21420, 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 0x0000022B9AE271F0, 16 bytes long.
 Data: <&#160;x&#226;&#154;+           > A0 78 E2 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022B9AE278A0, 992 bytes long.
 Data: <&#240;q&#226;&#154;+     &#226;&#154;+   > F0 71 E2 9A 2B 02 00 00 20 14 E2 9A 2B 02 00 00 
{92} normal block at 0x0000022B9AE21BA0, 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 0x0000022B9AE206F0, 16 bytes long.
 Data: <&#224;&#255;&#225;&#154;+           > E0 FF E1 9A 2B 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000022B9AE1FFE0, 40 bytes long.
 Data: <&#240; &#226;&#154;+   &#160; &#226;&#154;+   > F0 06 E2 9A 2B 02 00 00 A0 1B E2 9A 2B 02 00 00 
{69} normal block at 0x0000022B9AE20C90, 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 0x0000022B9AE20740, 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 0x0000022B9AE20470, 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 0x0000022B9AE202E0, 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 0x0000022B9AE20330, 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 0x0000022B9AE204C0, 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 0x0000022B9AE20600, 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 0x0000022B9AE20D30, 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 0x0000022B9AE20F60, 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 0x0000022B9AE20560, 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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