Task 38686206
| Name | test_44-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9539_0 |
| Workunit | 31627644 |
| Created | 28 Oct 2026, 1:17:22 UTC |
| Sent | 28 Oct 2026, 1:17:24 UTC |
| Report deadline | 2 Nov 2026, 1:17:24 UTC |
| Received | 28 Oct 2026, 2:09:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654854 |
| Run time | 32 min 12 sec |
| CPU time | 30 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.51 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:37:50 (11444): wrapper (7.9.26016): starting
20:37:50 (11444): 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
20:37:51 (11444): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:37:51 (11444): 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
21:09:34 (11444): C:/Windows/system32/cmd.exe exited; CPU time 1801.515625
21:09:34 (11444): 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: 26527987 bytes.
Dumping objects ->
{3835546} normal block at 0x000001ED3B5ACD50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835535} normal block at 0x000001ED397D49C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835524} normal block at 0x000001ED397D48E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835513} normal block at 0x000001ED397D4870, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835502} normal block at 0x000001ED397D4B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835471} normal block at 0x000001ED3B5F92C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835460} normal block at 0x000001ED3B60E940, 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) : {3835457} normal block at 0x000001ED397CEA90, 8 bytes long.
Data: < Ç9í > 00 00 C7 39 ED 01 00 00
{3834682} normal block at 0x000001ED3B60E470, 102 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 0x000001ED397CE540, 8 bytes long.
Data: < IZ;í > A0 49 5A 3B ED 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001ED397D0E20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ED397C6870, 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 0x000001ED397D5630, 16 bytes long.
Data: <xc}9í > 78 63 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ED397D5090, 16 bytes long.
Data: <Pc}9í > 50 63 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ED397CFA90, 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 0x000001ED397D5310, 16 bytes long.
Data: <(c}9í > 28 63 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ED397D53B0, 16 bytes long.
Data: < c}9í > 00 63 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ED397D5450, 16 bytes long.
Data: <Øb}9í > D8 62 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ED397D58B0, 16 bytes long.
Data: <°b}9í > B0 62 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ED397D4560, 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 0x000001ED397D52C0, 16 bytes long.
Data: < |9í > 18 8F 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ED397CFF10, 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 0x000001ED397D5CC0, 16 bytes long.
Data: <ðŽ|9í > F0 8E 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ED397D5E00, 16 bytes long.
Data: <ÈŽ|9í > C8 8E 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ED397D5A40, 16 bytes long.
Data: < Ž|9í > A0 8E 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ED397D59F0, 16 bytes long.
Data: <xŽ|9í > 78 8E 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ED397D5D10, 16 bytes long.
Data: <PŽ|9í > 50 8E 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ED397D5220, 16 bytes long.
Data: <(Ž|9í > 28 8E 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ED397CF8B0, 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 0x000001ED397D55E0, 16 bytes long.
Data: < Ž|9í > 00 8E 7C 39 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ED397C8E00, 320 bytes long.
Data: <àU}9í °ø|9í > E0 55 7D 39 ED 01 00 00 B0 F8 7C 39 ED 01 00 00
{274} normal block at 0x000001ED397D5B30, 16 bytes long.
Data: < b}9í > 90 62 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ED397D5540, 16 bytes long.
Data: <hb}9í > 68 62 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ED397D00F0, 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 0x000001ED397D5180, 16 bytes long.
Data: <@b}9í > 40 62 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ED397CFDF0, 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 0x000001ED397D5C70, 16 bytes long.
Data: < a}9í > 88 61 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED397D5C20, 16 bytes long.
Data: <`a}9í > 60 61 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ED397D5F90, 16 bytes long.
Data: <8a}9í > 38 61 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ED397D59A0, 16 bytes long.
Data: < a}9í > 10 61 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ED397D5130, 16 bytes long.
Data: <è`}9í > E8 60 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ED397D5950, 16 bytes long.
Data: <À`}9í > C0 60 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ED397D50E0, 16 bytes long.
Data: <ðD}9í > F0 44 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ED397D44F0, 40 bytes long.
Data: <àP}9í À’_;í > E0 50 7D 39 ED 01 00 00 C0 92 5F 3B ED 01 00 00
{260} normal block at 0x000001ED397D5FE0, 16 bytes long.
Data: < `}9í > A0 60 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ED397D5860, 16 bytes long.
Data: <x`}9í > 78 60 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ED397D0090, 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 0x000001ED397D5F40, 16 bytes long.
Data: <P`}9í > 50 60 7D 39 ED 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001ED397D6050, 992 bytes long.
Data: <@_}9í }9í > 40 5F 7D 39 ED 01 00 00 90 00 7D 39 ED 01 00 00
{92} normal block at 0x000001ED397D0210, 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 0x000001ED397CE900, 16 bytes long.
Data: < Á{9í > 80 C1 7B 39 ED 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001ED397BC180, 40 bytes long.
Data: < é|9í }9í > 00 E9 7C 39 ED 01 00 00 10 02 7D 39 ED 01 00 00
{69} normal block at 0x000001ED397CEAE0, 16 bytes long.
Data: < ꟺö > 80 EA 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ED397CE8B0, 16 bytes long.
Data: <@韺ö > 40 E9 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ED397CEF40, 16 bytes long.
Data: <øWœºö > F8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ED397CEB30, 16 bytes long.
Data: <ØWœºö > D8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ED397CF210, 16 bytes long.
Data: <P œºö > 50 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ED397CE860, 16 bytes long.
Data: <0 œºö > 30 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ED397CE7C0, 16 bytes long.
Data: <à œºö > E0 02 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ED397CF080, 16 bytes long.
Data: < œºö > 10 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ED397CF440, 16 bytes long.
Data: <p œºö > 70 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001ED397CE9A0, 16 bytes long.
Data: < Àšºö > 18 C0 9A BA F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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