Task 38687934

Name test_289-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2745_0
Workunit 31629305
Created 28 Oct 2026, 10:38:12 UTC
Sent 28 Oct 2026, 10:38:16 UTC
Report deadline 2 Nov 2026, 10:38:16 UTC
Received 28 Oct 2026, 11:03:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 34 sec
CPU time 23 min 33 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 742.67 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>
12:39:16 (30184): wrapper (7.9.26016): starting
12:39:16 (30184): 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
12:39:17 (30184): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:39:17 (30184): 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
13:02:59 (30184): C:/Windows/system32/cmd.exe exited; CPU time 1413.484375
13:02:59 (30184): 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: 28297225 bytes.
Dumping objects ->
{3835575} normal block at 0x000001E7587E9150, 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 0x000001E7587E8DD0, 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 0x000001E7587E8970, 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 0x000001E7587E8510, 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 0x000001E7569B5080, 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 0x000001E7587962B0, 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 0x000001E756A1A940, 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 0x000001E7569AB2B0, 8 bytes long.
 Data: <  &#228;V&#231;   > 00 00 E4 56 E7 01 00 00 
{3834707} normal block at 0x000001E756A1AC80, 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 0x000001E7569AB0D0, 8 bytes long.
 Data: < Z&#130;X&#231;   > 00 5A 82 58 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001E7569B2340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001E7569A6E60, 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 0x000001E7569B6820, 16 bytes long.
 Data: <Hm&#155;V&#231;           > 48 6D 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001E7569B6910, 16 bytes long.
 Data: < m&#155;V&#231;           > 20 6D 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E7569AF4B0, 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 0x000001E7569B6050, 16 bytes long.
 Data: <&#248;l&#155;V&#231;           > F8 6C 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E7569B6000, 16 bytes long.
 Data: <&#208;l&#155;V&#231;           > D0 6C 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E7569B64B0, 16 bytes long.
 Data: <&#168;l&#155;V&#231;           > A8 6C 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E7569B5FB0, 16 bytes long.
 Data: < l&#155;V&#231;           > 80 6C 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E7569B4EC0, 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 0x000001E7569B60A0, 16 bytes long.
 Data: <&#200;&#244; V&#231;           > C8 F4 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E7569AF2D0, 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 0x000001E7569B5EC0, 16 bytes long.
 Data: <&#160;&#244; V&#231;           > A0 F4 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E7569B5D30, 16 bytes long.
 Data: <x&#244; V&#231;           > 78 F4 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E7569B65F0, 16 bytes long.
 Data: <P&#244; V&#231;           > 50 F4 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E7569B5A60, 16 bytes long.
 Data: <(&#244; V&#231;           > 28 F4 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E7569B5E70, 16 bytes long.
 Data: < &#244; V&#231;           > 00 F4 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E7569B6370, 16 bytes long.
 Data: <&#216;&#243; V&#231;           > D8 F3 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E7569AF150, 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 0x000001E7569B5CE0, 16 bytes long.
 Data: <&#176;&#243; V&#231;           > B0 F3 99 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E75699F3B0, 320 bytes long.
 Data: <&#224;\&#155;V&#231;   P&#241;&#154;V&#231;   > E0 5C 9B 56 E7 01 00 00 50 F1 9A 56 E7 01 00 00 
{283} normal block at 0x000001E7569B5E20, 16 bytes long.
 Data: <`l&#155;V&#231;           > 60 6C 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E7569B6640, 16 bytes long.
 Data: <8l&#155;V&#231;           > 38 6C 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E7569AF030, 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 0x000001E7569B5F60, 16 bytes long.
 Data: < l&#155;V&#231;           > 10 6C 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E7569AED30, 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 0x000001E7569B66E0, 16 bytes long.
 Data: <Xk&#155;V&#231;           > 58 6B 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E7569B5F10, 16 bytes long.
 Data: <0k&#155;V&#231;           > 30 6B 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E7569B6960, 16 bytes long.
 Data: < k&#155;V&#231;           > 08 6B 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E7569B6460, 16 bytes long.
 Data: <&#224;j&#155;V&#231;           > E0 6A 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E7569B63C0, 16 bytes long.
 Data: <&#184;j&#155;V&#231;           > B8 6A 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E7569B6690, 16 bytes long.
 Data: < j&#155;V&#231;           > 90 6A 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E7569B6870, 16 bytes long.
 Data: < P&#155;V&#231;           > 10 50 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E7569B5010, 40 bytes long.
 Data: <ph&#155;V&#231;   &#176;byX&#231;   > 70 68 9B 56 E7 01 00 00 B0 62 79 58 E7 01 00 00 
{269} normal block at 0x000001E7569B65A0, 16 bytes long.
 Data: <pj&#155;V&#231;           > 70 6A 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E7569B6550, 16 bytes long.
 Data: <Hj&#155;V&#231;           > 48 6A 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E7569AEF70, 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 0x000001E7569B5DD0, 16 bytes long.
 Data: < j&#155;V&#231;           > 20 6A 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E7569B6A20, 992 bytes long.
 Data: <&#208;]&#155;V&#231;   p&#239;&#154;V&#231;   > D0 5D 9B 56 E7 01 00 00 70 EF 9A 56 E7 01 00 00 
{101} normal block at 0x000001E7569AE970, 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 0x000001E7569AAC70, 16 bytes long.
 Data: <&#208;Q&#155;V&#231;           > D0 51 9B 56 E7 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001E7569B51D0, 40 bytes long.
 Data: <p&#172;&#154;V&#231;   p&#233;&#154;V&#231;   > 70 AC 9A 56 E7 01 00 00 70 E9 9A 56 E7 01 00 00 
{78} normal block at 0x000001E7569AACC0, 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 0x000001E7569AB030, 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 0x000001E7569AB580, 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 0x000001E7569AABD0, 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 0x000001E7569AAC20, 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 0x000001E7569AA7C0, 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 0x000001E7569AADB0, 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 0x000001E7569AAFE0, 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 0x000001E7569AAEA0, 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 0x000001E7569AB1C0, 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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