Task 38687820
| Name | test_197-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9216_0 |
| Workunit | 31629197 |
| Created | 28 Oct 2026, 9:58:50 UTC |
| Sent | 28 Oct 2026, 9:58:56 UTC |
| Report deadline | 2 Nov 2026, 9:58:56 UTC |
| Received | 28 Oct 2026, 15:22:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651947 |
| Run time | 1 hours 47 min 36 sec |
| CPU time | 1 hours 42 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,238.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.12 MB |
| Peak swap size | 6.72 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:37:36 (4172): wrapper (7.9.26016): starting
09:37:36 (4172): 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
09:37:38 (4172): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:37:38 (4172): 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\11\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\11\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
11:22:24 (4172): C:/Windows/system32/cmd.exe exited; CPU time 6130.953125
11:22:24 (4172): 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: 78188783 bytes.
Dumping objects ->
{3835209} normal block at 0x0000019AC17D61C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x0000019AC17D62A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x0000019AC17D6690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835176} normal block at 0x0000019AC17D6D90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x0000019AC17D6E00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835134} normal block at 0x0000019AC328BB40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835123} normal block at 0x0000019AC32EE110, 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) : {3835120} normal block at 0x0000019AC17A5940, 8 bytes long.
Data: < xÁš > 00 00 78 C1 9A 01 00 00
{3834523} normal block at 0x0000019AC32EE1C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000019AC17A6250, 8 bytes long.
Data: < „2Ú > 10 84 32 C3 9A 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000019AC17B1C60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019AC1795C20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000019AC17B35B0, 16 bytes long.
Data: <X={Áš > 58 3D 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019AC17B2E80, 16 bytes long.
Data: <0={Áš > 30 3D 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019AC17AB900, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000019AC17B2BB0, 16 bytes long.
Data: < ={Áš > 08 3D 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019AC17B31A0, 16 bytes long.
Data: <à<{Áš > E0 3C 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019AC17B33D0, 16 bytes long.
Data: <¸<{Áš > B8 3C 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019AC17B2E30, 16 bytes long.
Data: < <{Áš > 90 3C 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019AC17AA720, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000019AC17B3100, 16 bytes long.
Data: <X²zÁš > 58 B2 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019AC17AB600, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000019AC17B3330, 16 bytes long.
Data: <0²zÁš > 30 B2 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019AC17B2AC0, 16 bytes long.
Data: < ²zÁš > 08 B2 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019AC17B2CA0, 16 bytes long.
Data: <à±zÁš > E0 B1 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019AC17B36F0, 16 bytes long.
Data: <¸±zÁš > B8 B1 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019AC17B2DE0, 16 bytes long.
Data: < ±zÁš > 90 B1 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019AC17B2B60, 16 bytes long.
Data: <h±zÁš > 68 B1 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019AC17AB6C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000019AC17B3880, 16 bytes long.
Data: <@±zÁš > 40 B1 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019AC17AB140, 320 bytes long.
Data: < 8{Áš À¶zÁš > 80 38 7B C1 9A 01 00 00 C0 B6 7A C1 9A 01 00 00
{268} normal block at 0x0000019AC17B3650, 16 bytes long.
Data: <p<{Áš > 70 3C 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019AC17B3420, 16 bytes long.
Data: <H<{Áš > 48 3C 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019AC17AB5A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000019AC17B30B0, 16 bytes long.
Data: < <{Áš > 20 3C 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019AC17AB8A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000019AC17B3740, 16 bytes long.
Data: <h;{Áš > 68 3B 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019AC17B3290, 16 bytes long.
Data: <@;{Áš > 40 3B 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019AC17B3060, 16 bytes long.
Data: < ;{Áš > 18 3B 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019AC17B3010, 16 bytes long.
Data: <ð:{Áš > F0 3A 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019AC17B2D90, 16 bytes long.
Data: <È:{Áš > C8 3A 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019AC17B3970, 16 bytes long.
Data: < :{Áš > A0 3A 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019AC17B2A70, 16 bytes long.
Data: < £zÁš > A0 A3 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019AC17AA3A0, 40 bytes long.
Data: <p*{Áš @»(Ú > 70 2A 7B C1 9A 01 00 00 40 BB 28 C3 9A 01 00 00
{254} normal block at 0x0000019AC17B3150, 16 bytes long.
Data: < :{Áš > 80 3A 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000019AC17B3920, 16 bytes long.
Data: <X:{Áš > 58 3A 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000019AC17AB540, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000019AC17B32E0, 16 bytes long.
Data: <0:{Áš > 30 3A 7B C1 9A 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000019AC17B3A30, 992 bytes long.
Data: <à2{Áš @µzÁš > E0 32 7B C1 9A 01 00 00 40 B5 7A C1 9A 01 00 00
{86} normal block at 0x0000019AC17ABAE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000019AC17A6200, 16 bytes long.
Data: <  zÁš > 90 A0 7A C1 9A 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000019AC17AA090, 40 bytes long.
Data: < bzÁš àºzÁš > 00 62 7A C1 9A 01 00 00 E0 BA 7A C1 9A 01 00 00
{63} normal block at 0x0000019AC17A5620, 16 bytes long.
Data: < êh¼ö > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019AC17A6110, 16 bytes long.
Data: <@éh¼ö > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019AC17A61B0, 16 bytes long.
Data: <øWe¼ö > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019AC17A5FD0, 16 bytes long.
Data: <ØWe¼ö > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019AC17A5440, 16 bytes long.
Data: <P e¼ö > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019AC17A5300, 16 bytes long.
Data: <0 e¼ö > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000019AC17A59E0, 16 bytes long.
Data: <à e¼ö > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000019AC17A5A30, 16 bytes long.
Data: < e¼ö > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000019AC17A5850, 16 bytes long.
Data: <p e¼ö > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000019AC17A5E90, 16 bytes long.
Data: < Àc¼ö > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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