Task 38660034
| Name | test_1861-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0311_0 |
| Workunit | 31603565 |
| Created | 24 Oct 2026, 13:43:54 UTC |
| Sent | 24 Oct 2026, 17:02:57 UTC |
| Report deadline | 29 Oct 2026, 17:02:57 UTC |
| Received | 24 Oct 2026, 18:28:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652341 |
| Run time | 50 min 58 sec |
| CPU time | 33 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,346.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.45 MB |
| Peak swap size | 2.36 GB |
| Peak disk usage | 3.36 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:06:42 (892): wrapper (7.9.26016): starting
19:06:42 (892): 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
19:06:46 (892): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:06:46 (892): 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
19:55:19 (892): C:/Windows/system32/cmd.exe exited; CPU time 1994.031250
19:55:19 (892): 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: 33235209 bytes.
Dumping objects ->
{3835271} normal block at 0x00000204F5B2D210, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835260} normal block at 0x00000204F5B2D670, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835249} normal block at 0x00000204F3FC45C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835238} normal block at 0x00000204F3FC44E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x00000204F3FC4470, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835196} normal block at 0x00000204F5B75570, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x00000204F5B8E0E0, 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) : {3835182} normal block at 0x00000204F3FBE170, 8 bytes long.
Data: < 8ô > 00 00 38 F4 04 02 00 00
{3834562} normal block at 0x00000204F5B8E7C0, 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 0x00000204F3FBE120, 8 bytes long.
Data: < Öúó > 90 D6 FA F3 04 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000204F3FC06E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000204F3FB5830, 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 0x00000204F3FC4BD0, 16 bytes long.
Data: <(]üó > 28 5D FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000204F3FC5760, 16 bytes long.
Data: < ]üó > 00 5D FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000204F3FBF690, 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 0x00000204F3FC58F0, 16 bytes long.
Data: <Ø\üó > D8 5C FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000204F3FC5710, 16 bytes long.
Data: <°\üó > B0 5C FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000204F3FC4F40, 16 bytes long.
Data: < \üó > 88 5C FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000204F3FC5170, 16 bytes long.
Data: <`\üó > 60 5C FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000204F3FC4240, 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 0x00000204F3FC57B0, 16 bytes long.
Data: <H´úó > 48 B4 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000204F3FBED90, 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 0x00000204F3FC53A0, 16 bytes long.
Data: < ´úó > 20 B4 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000204F3FC56C0, 16 bytes long.
Data: <ø³úó > F8 B3 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000204F3FC5620, 16 bytes long.
Data: <гúó > D0 B3 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000204F3FC5670, 16 bytes long.
Data: <¨³úó > A8 B3 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000204F3FC5580, 16 bytes long.
Data: < ³úó > 80 B3 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000204F3FC4B80, 16 bytes long.
Data: <X³úó > 58 B3 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000204F3FBF630, 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 0x00000204F3FC5530, 16 bytes long.
Data: <0³úó > 30 B3 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000204F3FAB330, 320 bytes long.
Data: <0Uüó 0öûó > 30 55 FC F3 04 02 00 00 30 F6 FB F3 04 02 00 00
{274} normal block at 0x00000204F3FC4AE0, 16 bytes long.
Data: <@\üó > 40 5C FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000204F3FC5940, 16 bytes long.
Data: < \üó > 18 5C FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000204F3FBF210, 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 0x00000204F3FC4D60, 16 bytes long.
Data: <ð[üó > F0 5B FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000204F3FBF270, 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 0x00000204F3FC5490, 16 bytes long.
Data: <8[üó > 38 5B FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000204F3FC54E0, 16 bytes long.
Data: < [üó > 10 5B FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000204F3FC4D10, 16 bytes long.
Data: <èZüó > E8 5A FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000204F3FC4CC0, 16 bytes long.
Data: <ÀZüó > C0 5A FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000204F3FC4A40, 16 bytes long.
Data: < Züó > 98 5A FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000204F3FC4E00, 16 bytes long.
Data: <pZüó > 70 5A FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000204F3FC4DB0, 16 bytes long.
Data: <PEüó > 50 45 FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000204F3FC4550, 40 bytes long.
Data: <°Müó pU·õ > B0 4D FC F3 04 02 00 00 70 55 B7 F5 04 02 00 00
{260} normal block at 0x00000204F3FC5440, 16 bytes long.
Data: <PZüó > 50 5A FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000204F3FC55D0, 16 bytes long.
Data: <(Züó > 28 5A FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000204F3FBF870, 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 0x00000204F3FC53F0, 16 bytes long.
Data: < Züó > 00 5A FC F3 04 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000204F3FC5A00, 992 bytes long.
Data: <ðSüó pøûó > F0 53 FC F3 04 02 00 00 70 F8 FB F3 04 02 00 00
{92} normal block at 0x00000204F3FBF1B0, 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 0x00000204F3FBE3F0, 16 bytes long.
Data: < Æúó > 00 C6 FA F3 04 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000204F3FAC600, 40 bytes long.
Data: <ðãûó °ñûó > F0 E3 FB F3 04 02 00 00 B0 F1 FB F3 04 02 00 00
{69} normal block at 0x00000204F3FBE2B0, 16 bytes long.
Data: < êö ö > 80 EA F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000204F3FBE530, 16 bytes long.
Data: <@éö ö > 40 E9 F6 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000204F3FBE260, 16 bytes long.
Data: <øWó ö > F8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000204F3FBE7B0, 16 bytes long.
Data: <ØWó ö > D8 57 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000204F3FBE210, 16 bytes long.
Data: <P ó ö > 50 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000204F3FBE1C0, 16 bytes long.
Data: <0 ó ö > 30 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000204F3FBDF90, 16 bytes long.
Data: <à ó ö > E0 02 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000204F3FBE4E0, 16 bytes long.
Data: < ó ö > 10 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000204F3FBE8A0, 16 bytes long.
Data: <p ó ö > 70 04 F3 1A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000204F3FBE760, 16 bytes long.
Data: < Àñ ö > 18 C0 F1 1A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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