Task 38681070
| Name | test_774-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2246_0 |
| Workunit | 31622755 |
| Created | 27 Oct 2026, 2:29:59 UTC |
| Sent | 27 Oct 2026, 2:30:03 UTC |
| Report deadline | 1 Nov 2026, 2:30:03 UTC |
| Received | 27 Oct 2026, 8:35:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639498 |
| Run time | 2 hours 1 min 22 sec |
| CPU time | 1 hours 41 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,085.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 645.21 MB |
| Peak swap size | 2.20 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:35:57 (6832): wrapper (7.9.26016): starting
00:35:57 (6832): 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
00:36:00 (6832): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:36:00 (6832): 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\4\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\4\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
02:35:00 (6832): C:/Windows/system32/cmd.exe exited; CPU time 6111.453125
02:35:00 (6832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 78534693 bytes.
Dumping objects ->
{3835279} normal block at 0x000001FDDD4A1330, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835268} normal block at 0x000001FDDD4A0A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835257} normal block at 0x000001FDDD4A1170, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835246} normal block at 0x000001FDDD4A0DF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x000001FDDD4A1560, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835204} normal block at 0x000001FDDD56B320, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x000001FDDBB32800, 235 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) : {3835190} normal block at 0x000001FDDBB264B0, 8 bytes long.
Data: < §Ûý > 00 00 A7 DB FD 01 00 00
{3834573} normal block at 0x000001FDDBB32F20, 235 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 0x000001FDDBB267D0, 8 bytes long.
Data: <À OÝý > C0 00 4F DD FD 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001FDDBB30040, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FDDBB1B050, 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 0x000001FDDBB31580, 16 bytes long.
Data: <È7³Ûý > C8 37 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FDDBB31530, 16 bytes long.
Data: < 7³Ûý > A0 37 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FDDBB2D120, 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 0x000001FDDBB311C0, 16 bytes long.
Data: <x7³Ûý > 78 37 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FDDBB312B0, 16 bytes long.
Data: <P7³Ûý > 50 37 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FDDBB31C60, 16 bytes long.
Data: <(7³Ûý > 28 37 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FDDBB31B20, 16 bytes long.
Data: < 7³Ûý > 00 37 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FDDBB2C7F0, 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 0x000001FDDBB314E0, 16 bytes long.
Data: <诱Ûý > E8 AF B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FDDBB2D0C0, 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 0x000001FDDBB313F0, 16 bytes long.
Data: <À¯±Ûý > C0 AF B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FDDBB31170, 16 bytes long.
Data: < ¯±Ûý > 98 AF B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FDDBB31F30, 16 bytes long.
Data: <p¯±Ûý > 70 AF B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FDDBB31AD0, 16 bytes long.
Data: <H¯±Ûý > 48 AF B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FDDBB31EE0, 16 bytes long.
Data: < ¯±Ûý > 20 AF B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FDDBB32020, 16 bytes long.
Data: <ø®±Ûý > F8 AE B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FDDBB2D000, 32 bytes long.
Data: <CUDA_DEVICE=2 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 32 00 50 55
{270} normal block at 0x000001FDDBB31710, 16 bytes long.
Data: <Ю±Ûý > D0 AE B1 DB FD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FDDBB1AED0, 320 bytes long.
Data: < ³Ûý вÛý > 10 17 B3 DB FD 01 00 00 00 D0 B2 DB FD 01 00 00
{268} normal block at 0x000001FDDBB31A80, 16 bytes long.
Data: <à6³Ûý > E0 36 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FDDBB31E90, 16 bytes long.
Data: <¸6³Ûý > B8 36 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FDDBB2D300, 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 0x000001FDDBB316C0, 16 bytes long.
Data: < 6³Ûý > 90 36 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FDDBB2DD20, 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 0x000001FDDBB31D00, 16 bytes long.
Data: <Ø5³Ûý > D8 35 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FDDBB31E40, 16 bytes long.
Data: <°5³Ûý > B0 35 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FDDBB31FD0, 16 bytes long.
Data: < 5³Ûý > 88 35 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FDDBB31260, 16 bytes long.
Data: <`5³Ûý > 60 35 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FDDBB31A30, 16 bytes long.
Data: <85³Ûý > 38 35 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FDDBB310D0, 16 bytes long.
Data: < 5³Ûý > 10 35 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FDDBB319E0, 16 bytes long.
Data: <0ͲÛý > 30 CD B2 DB FD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001FDDBB2CD30, 40 bytes long.
Data: <à ³Ûý ³VÝý > E0 19 B3 DB FD 01 00 00 20 B3 56 DD FD 01 00 00
{254} normal block at 0x000001FDDBB31440, 16 bytes long.
Data: <ð4³Ûý > F0 34 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001FDDBB313A0, 16 bytes long.
Data: <È4³Ûý > C8 34 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001FDDBB2DCC0, 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 0x000001FDDBB31120, 16 bytes long.
Data: < 4³Ûý > A0 34 B3 DB FD 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001FDDBB334A0, 992 bytes long.
Data: < ³Ûý ÀܲÛý > 20 11 B3 DB FD 01 00 00 C0 DC B2 DB FD 01 00 00
{86} normal block at 0x000001FDDBB2D960, 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 0x000001FDDBB26E60, 16 bytes long.
Data: < βÛý > 80 CE B2 DB FD 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001FDDBB2CE80, 40 bytes long.
Data: <`n²Ûý `Ù²Ûý > 60 6E B2 DB FD 01 00 00 60 D9 B2 DB FD 01 00 00
{63} normal block at 0x000001FDDBB26FF0, 16 bytes long.
Data: < êíf÷ > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FDDBB270E0, 16 bytes long.
Data: <@éíf÷ > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FDDBB26780, 16 bytes long.
Data: <øWêf÷ > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FDDBB26D20, 16 bytes long.
Data: <ØWêf÷ > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FDDBB268C0, 16 bytes long.
Data: <P êf÷ > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FDDBB26870, 16 bytes long.
Data: <0 êf÷ > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001FDDBB26CD0, 16 bytes long.
Data: <à êf÷ > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001FDDBB26E10, 16 bytes long.
Data: < êf÷ > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001FDDBB26D70, 16 bytes long.
Data: <p êf÷ > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001FDDBB26C30, 16 bytes long.
Data: < Àèf÷ > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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