Task 38687729

Name test_306-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6290_0
Workunit 31629110
Created 28 Oct 2026, 9:26:32 UTC
Sent 28 Oct 2026, 9:26:36 UTC
Report deadline 2 Nov 2026, 9:26:36 UTC
Received 28 Oct 2026, 12:12:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 56 min 59 sec
CPU time 50 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.63 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:17:05 (8800): wrapper (7.9.26016): starting
04:17:05 (8800): 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
04:17:08 (8800): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:17:08 (8800): 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
05:11:32 (8800): C:/Windows/system32/cmd.exe exited; CPU time 3059.718750
05:11:32 (8800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 62644685 bytes.
Dumping objects ->
{3835458} normal block at 0x000002CF7641DAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002CF7641D5E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000002CF7641DA40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000002CF745D53C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000002CF745D52E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x000002CF76469AF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002CF7647FC00, 102 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) : {3835369} normal block at 0x000002CF745CDFB0, 8 bytes long.
 Data: <  &#202;t&#207;   > 00 00 CA 74 CF 02 00 00 
{3834654} normal block at 0x000002CF7647F5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002CF745CDA60, 8 bytes long.
 Data: < I]t&#207;   > 90 49 5D 74 CF 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002CF745D2040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002CF745C7260, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002CF745D6540, 16 bytes long.
 Data: <8r]t&#207;           > 38 72 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002CF745D6310, 16 bytes long.
 Data: < r]t&#207;           > 10 72 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002CF745D0110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002CF745D62C0, 16 bytes long.
 Data: <&#232;q]t&#207;           > E8 71 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002CF745D6360, 16 bytes long.
 Data: <&#192;q]t&#207;           > C0 71 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CF745D6270, 16 bytes long.
 Data: < q]t&#207;           > 98 71 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002CF745D6E00, 16 bytes long.
 Data: <pq]t&#207;           > 70 71 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CF745D5190, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002CF745D6950, 16 bytes long.
 Data: <&#232;&#248;[t&#207;           > E8 F8 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CF745CF930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002CF745D6D60, 16 bytes long.
 Data: <&#192;&#248;[t&#207;           > C0 F8 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CF745D6220, 16 bytes long.
 Data: < &#248;[t&#207;           > 98 F8 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CF745D6C70, 16 bytes long.
 Data: <p&#248;[t&#207;           > 70 F8 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002CF745D6C20, 16 bytes long.
 Data: <H&#248;[t&#207;           > 48 F8 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CF745D5FA0, 16 bytes long.
 Data: < &#248;[t&#207;           > 20 F8 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002CF745D6E50, 16 bytes long.
 Data: <&#248;&#247;[t&#207;           > F8 F7 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CF745D0230, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002CF745D6BD0, 16 bytes long.
 Data: <&#208;&#247;[t&#207;           > D0 F7 5B 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CF745BF7D0, 320 bytes long.
 Data: <&#208;k]t&#207;   0 ]t&#207;   > D0 6B 5D 74 CF 02 00 00 30 02 5D 74 CF 02 00 00 
{278} normal block at 0x000002CF745D64F0, 16 bytes long.
 Data: <Pq]t&#207;           > 50 71 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002CF745D6130, 16 bytes long.
 Data: <(q]t&#207;           > 28 71 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CF745D00B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002CF745D61D0, 16 bytes long.
 Data: < q]t&#207;           > 00 71 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002CF745CFC90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002CF745D60E0, 16 bytes long.
 Data: <Hp]t&#207;           > 48 70 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002CF745D6CC0, 16 bytes long.
 Data: < p]t&#207;           > 20 70 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CF745D6450, 16 bytes long.
 Data: <&#248;o]t&#207;           > F8 6F 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CF745D6900, 16 bytes long.
 Data: <&#208;o]t&#207;           > D0 6F 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002CF745D6090, 16 bytes long.
 Data: <&#168;o]t&#207;           > A8 6F 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CF745D6D10, 16 bytes long.
 Data: < o]t&#207;           > 80 6F 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CF745D6180, 16 bytes long.
 Data: < U]t&#207;           > 80 55 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CF745D5580, 40 bytes long.
 Data: < a]t&#207;   &#240;&#154;Fv&#207;   > 80 61 5D 74 CF 02 00 00 F0 9A 46 76 CF 02 00 00 
{264} normal block at 0x000002CF745D6B30, 16 bytes long.
 Data: <`o]t&#207;           > 60 6F 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002CF745D6040, 16 bytes long.
 Data: <8o]t&#207;           > 38 6F 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CF745D0770, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002CF745D6B80, 16 bytes long.
 Data: < o]t&#207;           > 10 6F 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002CF745D6F10, 992 bytes long.
 Data: < k]t&#207;   p ]t&#207;   > 80 6B 5D 74 CF 02 00 00 70 07 5D 74 CF 02 00 00 
{96} normal block at 0x000002CF745CFED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002CF745CE410, 16 bytes long.
 Data: < U]t&#207;           > 10 55 5D 74 CF 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002CF745D5510, 40 bytes long.
 Data: < &#228;\t&#207;   &#208;&#254;\t&#207;   > 10 E4 5C 74 CF 02 00 00 D0 FE 5C 74 CF 02 00 00 
{73} normal block at 0x000002CF745CE6E0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002CF745CE690, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002CF745CE0A0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002CF745CD970, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002CF745CE550, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002CF745CE780, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002CF745CD8D0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002CF745CE640, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002CF745CDCE0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002CF745CE5A0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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