Task 38687703

Name test_765-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7021_1
Workunit 31628860
Created 28 Oct 2026, 9:16:49 UTC
Sent 28 Oct 2026, 9:16:54 UTC
Report deadline 2 Nov 2026, 9:16:54 UTC
Received 28 Oct 2026, 9:41:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 27 sec
CPU time 23 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.51 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:17:57 (21004): wrapper (7.9.26016): starting
11:17:57 (21004): 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
11:17:58 (21004): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:17:58 (21004): 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\27\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\27\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
11:41:30 (21004): C:/Windows/system32/cmd.exe exited; CPU time 1388.953125
11:41:30 (21004): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 27948219 bytes.
Dumping objects ->
{3835575} normal block at 0x000001E7C5428CA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001E7C54294F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x000001E7C5428E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x000001E7C5428C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001E7C35E5170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x000001E7C538D230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001E7C363D960, 140 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) : {3835486} normal block at 0x000001E7C35DB1F0, 8 bytes long.
 Data: <  [&#195;&#231;   > 00 00 5B C3 E7 01 00 00 
{3834707} normal block at 0x000001E7C363D620, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x000001E7C35DA700, 8 bytes long.
 Data: <@&#222;\&#195;&#231;   > 40 DE 5C C3 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001E7C35E2460, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E7C35CF440, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001E7C35E62F0, 16 bytes long.
 Data: <&#184;m^&#195;&#231;           > B8 6D 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001E7C35E6160, 16 bytes long.
 Data: < m^&#195;&#231;           > 90 6D 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E7C35DE630, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001E7C35E6A20, 16 bytes long.
 Data: <hm^&#195;&#231;           > 68 6D 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E7C35E64D0, 16 bytes long.
 Data: <@m^&#195;&#231;           > 40 6D 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E7C35E5CB0, 16 bytes long.
 Data: < m^&#195;&#231;           > 18 6D 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E7C35E6430, 16 bytes long.
 Data: <&#240;l^&#195;&#231;           > F0 6C 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E7C35E52C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001E7C35E6110, 16 bytes long.
 Data: <( ]&#195;&#231;           > 28 13 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E7C35DF4D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001E7C35E67A0, 16 bytes long.
 Data: <  ]&#195;&#231;           > 00 13 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E7C35E66B0, 16 bytes long.
 Data: <&#216; ]&#195;&#231;           > D8 12 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E7C35E5E40, 16 bytes long.
 Data: <&#176; ]&#195;&#231;           > B0 12 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E7C35E62A0, 16 bytes long.
 Data: <  ]&#195;&#231;           > 88 12 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E7C35E5C60, 16 bytes long.
 Data: <` ]&#195;&#231;           > 60 12 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E7C35E69D0, 16 bytes long.
 Data: <8 ]&#195;&#231;           > 38 12 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E7C35DF3B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001E7C35E6200, 16 bytes long.
 Data: <  ]&#195;&#231;           > 10 12 5D C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E7C35D1210, 320 bytes long.
 Data: < b^&#195;&#231;   &#176;&#243;]&#195;&#231;   > 00 62 5E C3 E7 01 00 00 B0 F3 5D C3 E7 01 00 00 
{283} normal block at 0x000001E7C35E5BC0, 16 bytes long.
 Data: <&#208;l^&#195;&#231;           > D0 6C 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E7C35E6660, 16 bytes long.
 Data: <&#168;l^&#195;&#231;           > A8 6C 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E7C35DF230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001E7C35E65C0, 16 bytes long.
 Data: < l^&#195;&#231;           > 80 6C 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E7C35DF350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001E7C35E6980, 16 bytes long.
 Data: <&#200;k^&#195;&#231;           > C8 6B 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E7C35E6020, 16 bytes long.
 Data: <&#160;k^&#195;&#231;           > A0 6B 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E7C35E5DA0, 16 bytes long.
 Data: <xk^&#195;&#231;           > 78 6B 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E7C35E6610, 16 bytes long.
 Data: <Pk^&#195;&#231;           > 50 6B 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E7C35E5B20, 16 bytes long.
 Data: <(k^&#195;&#231;           > 28 6B 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E7C35E5FD0, 16 bytes long.
 Data: < k^&#195;&#231;           > 00 6B 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E7C35E6070, 16 bytes long.
 Data: <0S^&#195;&#231;           > 30 53 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E7C35E5330, 40 bytes long.
 Data: <p`^&#195;&#231;   0&#210;8&#197;&#231;   > 70 60 5E C3 E7 01 00 00 30 D2 38 C5 E7 01 00 00 
{269} normal block at 0x000001E7C35E6930, 16 bytes long.
 Data: <&#224;j^&#195;&#231;           > E0 6A 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E7C35E6250, 16 bytes long.
 Data: <&#184;j^&#195;&#231;           > B8 6A 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E7C35DF0B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001E7C35E6520, 16 bytes long.
 Data: < j^&#195;&#231;           > 90 6A 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E7C35E6A90, 992 bytes long.
 Data: < e^&#195;&#231;   &#176;&#240;]&#195;&#231;   > 20 65 5E C3 E7 01 00 00 B0 F0 5D C3 E7 01 00 00 
{101} normal block at 0x000001E7C35DEE10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001E7C35DB330, 16 bytes long.
 Data: <&#224;Q^&#195;&#231;           > E0 51 5E C3 E7 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001E7C35E51E0, 40 bytes long.
 Data: <0&#179;]&#195;&#231;    &#238;]&#195;&#231;   > 30 B3 5D C3 E7 01 00 00 10 EE 5D C3 E7 01 00 00 
{78} normal block at 0x000001E7C35DAE30, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001E7C35DB100, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001E7C35DADE0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001E7C35DB0B0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E7C35DAD40, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E7C35DACA0, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E7C35DA7A0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E7C35DAF20, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E7C35DAE80, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E7C35DB2E0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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