Task 38683315
| Name | test_935-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7201_2 |
| Workunit | 31623800 |
| Created | 27 Oct 2026, 11:21:04 UTC |
| Sent | 27 Oct 2026, 11:21:25 UTC |
| Report deadline | 1 Nov 2026, 11:21:25 UTC |
| Received | 27 Oct 2026, 13:02:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653922 |
| Run time | 1 hours 11 min 31 sec |
| CPU time | 1 hours 5 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 620.98 MB |
| Peak swap size | 2.27 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:42:29 (1092): wrapper (7.9.26016): starting
12:42:29 (1092): 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
12:42:34 (1092): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:42:34 (1092): 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 'D:\boinc\data\slots\1\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 'D:\boinc\data\slots\1\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.
12:56:06 (6600): wrapper (7.9.26016): starting
12:56:06 (6600): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\boinc\data\slots\1\tmp already exists.
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
14:02:13 (6600): C:/Windows/system32/cmd.exe exited; CPU time 3766.406250
14:02:13 (6600): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 39558787 bytes.
Dumping objects ->
{1767} normal block at 0x0000024956E3E610, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{1756} normal block at 0x0000024956E3A470, 32 bytes long.
Data: <HOME=D:\boinc\da> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{1745} normal block at 0x0000024956E3A590, 32 bytes long.
Data: <TMP=D:\boinc\dat> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61 74
{1734} normal block at 0x0000024956E3AC50, 32 bytes long.
Data: <TEMP=D:\boinc\da> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
{1723} normal block at 0x0000024956E39FF0, 32 bytes long.
Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C
{1692} normal block at 0x0000024956E3E6F0, 48 bytes long.
Data: <PATH=D:\boinc\da> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 64 61
..\api\boinc_api.cpp(309) : {1679} normal block at 0x0000024956E3F9B0, 8 bytes long.
Data: < VI > 00 00 DF 56 49 02 00 00
{298} normal block at 0x0000024956E3F4B0, 8 bytes long.
Data: < VI > D0 FF E3 56 49 02 00 00
{289} normal block at 0x0000024956E3EAF0, 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 0x0000024956E3F0F0, 16 bytes long.
Data: < VI > D8 FE E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024956E3F370, 16 bytes long.
Data: < VI > B0 FE E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024956E3AD10, 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 0x0000024956E3FAA0, 16 bytes long.
Data: < VI > 88 FE E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024956E3F910, 16 bytes long.
Data: <` VI > 60 FE E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024956E3FA50, 16 bytes long.
Data: <8 VI > 38 FE E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024956E3F1E0, 16 bytes long.
Data: < VI > 10 FE E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024956E3E530, 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 0x0000024956E3F960, 16 bytes long.
Data: < VI > 88 EA E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024956E3AA70, 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 0x0000024956E3F230, 16 bytes long.
Data: <` VI > 60 EA E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024956E3EF60, 16 bytes long.
Data: <8 VI > 38 EA E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024956E3F2D0, 16 bytes long.
Data: < VI > 10 EA E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024956E3F640, 16 bytes long.
Data: < VI > E8 E9 E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024956E3F820, 16 bytes long.
Data: < VI > C0 E9 E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024956E3F140, 16 bytes long.
Data: < VI > 98 E9 E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024956E3A770, 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 0x0000024956E3F320, 16 bytes long.
Data: <p VI > 70 E9 E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024956E3E970, 320 bytes long.
Data: < VI p VI > 20 F3 E3 56 49 02 00 00 70 A7 E3 56 49 02 00 00
{268} normal block at 0x0000024956E3F0A0, 16 bytes long.
Data: < VI > F0 FD E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024956E3ECE0, 16 bytes long.
Data: < VI > C8 FD E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024956E3AA10, 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 0x0000024956E3F500, 16 bytes long.
Data: < VI > A0 FD E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024956E3AB30, 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 0x0000024956E3EF10, 16 bytes long.
Data: < VI > E8 FC E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024956E3EC40, 16 bytes long.
Data: < VI > C0 FC E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024956E3FAF0, 16 bytes long.
Data: < VI > 98 FC E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024956E3F8C0, 16 bytes long.
Data: <p VI > 70 FC E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024956E3F050, 16 bytes long.
Data: <H VI > 48 FC E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024956E3EE20, 16 bytes long.
Data: < VI > 20 FC E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024956E3F000, 16 bytes long.
Data: < VI > 80 E6 E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024956E3E680, 40 bytes long.
Data: < VI VI > 00 F0 E3 56 49 02 00 00 F0 E6 E3 56 49 02 00 00
{254} normal block at 0x0000024956E3F460, 16 bytes long.
Data: < VI > 00 FC E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000024956E3FA00, 16 bytes long.
Data: < VI > D8 FB E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000024956E3A890, 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 0x0000024956E3EEC0, 16 bytes long.
Data: < VI > B0 FB E3 56 49 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000024956E3FBB0, 992 bytes long.
Data: < VI VI > C0 EE E3 56 49 02 00 00 90 A8 E3 56 49 02 00 00
{86} normal block at 0x0000024956E39E70, 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 0x0000024956E361A0, 16 bytes long.
Data: < VI > 80 07 E2 56 49 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000024956E20780, 40 bytes long.
Data: < a VI p VI > A0 61 E3 56 49 02 00 00 70 9E E3 56 49 02 00 00
{63} normal block at 0x0000024956E362E0, 16 bytes long.
Data: < h > 80 EA 8D 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024956E35AC0, 16 bytes long.
Data: <@ h > 40 E9 8D 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024956E35A20, 16 bytes long.
Data: < W h > F8 57 8A 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024956E35840, 16 bytes long.
Data: < W h > D8 57 8A 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024956E36100, 16 bytes long.
Data: <P h > 50 04 8A 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000024956E36600, 16 bytes long.
Data: <0 h > 30 04 8A 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000024956E357F0, 16 bytes long.
Data: < h > E0 02 8A 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000024956E36510, 16 bytes long.
Data: < h > 10 04 8A 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000024956E35D40, 16 bytes long.
Data: <p h > 70 04 8A 68 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000024956E366A0, 16 bytes long.
Data: < h > 18 C0 88 68 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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