Task 38665072
| Name | test_364-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4325_0 |
| Workunit | 31608192 |
| Created | 25 Oct 2026, 0:36:28 UTC |
| Sent | 25 Oct 2026, 6:44:26 UTC |
| Report deadline | 30 Oct 2026, 6:44:26 UTC |
| Received | 25 Oct 2026, 10:47:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654477 |
| Run time | 48 min 33 sec |
| CPU time | 40 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,184.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.42 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:55:10 (7716): wrapper (7.9.26016): starting
10:55:10 (7716): 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
10:55:12 (7716): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:55:12 (7716): 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\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 'C:\ProgramData\BOINC\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.
11:18:40 (18944): wrapper (7.9.26016): starting
11:18:40 (18944): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\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
11:45:54 (18944): C:/Windows/system32/cmd.exe exited; CPU time 1437.609375
11:45:54 (18944): 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: 31355886 bytes.
Dumping objects ->
{1627} normal block at 0x000001D613966230, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1616} normal block at 0x000001D613965F90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1605} normal block at 0x000001D6139664D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1594} normal block at 0x000001D613966380, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1583} normal block at 0x000001D613966310, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1552} normal block at 0x000001D61395AE30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1541} normal block at 0x000001D61394D530, 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) : {1538} normal block at 0x000001D6139669A0, 8 bytes long.
Data: < > 00 00 D3 13 D6 01 00 00
{913} normal block at 0x000001D61395AD80, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x000001D613966950, 8 bytes long.
Data: < y > C0 79 96 13 D6 01 00 00
{296} normal block at 0x000001D613957180, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001D613966D60, 16 bytes long.
Data: < x > C8 78 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D6139673A0, 16 bytes long.
Data: < x > A0 78 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D613960F00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001D613966F40, 16 bytes long.
Data: <xx > 78 78 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D613966EF0, 16 bytes long.
Data: <Px > 50 78 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D6139668B0, 16 bytes long.
Data: <(x > 28 78 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D6139667C0, 16 bytes long.
Data: < x > 00 78 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D613965DD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001D613966B80, 16 bytes long.
Data: <h > 68 F7 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D613961740, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001D613966CC0, 16 bytes long.
Data: <@ > 40 F7 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D613966EA0, 16 bytes long.
Data: < > 18 F7 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D613967170, 16 bytes long.
Data: < > F0 F6 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D613966810, 16 bytes long.
Data: < > C8 F6 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D6139673F0, 16 bytes long.
Data: < > A0 F6 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D613966BD0, 16 bytes long.
Data: <x > 78 F6 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D613961320, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001D613966720, 16 bytes long.
Data: <P > 50 F6 95 13 D6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D61395F650, 320 bytes long.
Data: < g > 20 67 96 13 D6 01 00 00 20 13 96 13 D6 01 00 00
{275} normal block at 0x000001D613966AE0, 16 bytes long.
Data: < w > E0 77 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D613966770, 16 bytes long.
Data: < w > B8 77 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D6139616E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001D6139666D0, 16 bytes long.
Data: < w > 90 77 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D6139613E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001D613966900, 16 bytes long.
Data: < v > D8 76 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D613967210, 16 bytes long.
Data: < v > B0 76 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D613966DB0, 16 bytes long.
Data: < v > 88 76 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D613966860, 16 bytes long.
Data: <`v > 60 76 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D613966680, 16 bytes long.
Data: <8v > 38 76 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D613967350, 16 bytes long.
Data: < v > 10 76 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D613967300, 16 bytes long.
Data: < a > C0 61 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D6139661C0, 40 bytes long.
Data: < s 0 > 00 73 96 13 D6 01 00 00 30 AE 95 13 D6 01 00 00
{261} normal block at 0x000001D613966D10, 16 bytes long.
Data: < u > F0 75 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D613966630, 16 bytes long.
Data: < u > C8 75 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D6139610E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001D6139672B0, 16 bytes long.
Data: < u > A0 75 96 13 D6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D6139675A0, 992 bytes long.
Data: < r > B0 72 96 13 D6 01 00 00 E0 10 96 13 D6 01 00 00
{93} normal block at 0x000001D613961260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001D6139607D0, 16 bytes long.
Data: < > C0 D4 94 13 D6 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001D61394D4C0, 40 bytes long.
Data: < ` > D0 07 96 13 D6 01 00 00 60 12 96 13 D6 01 00 00
{70} normal block at 0x000001D6139608C0, 16 bytes long.
Data: < > 80 EA 11 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D613960500, 16 bytes long.
Data: <@ > 40 E9 11 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D613960050, 16 bytes long.
Data: < W > F8 57 0E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D613960320, 16 bytes long.
Data: < W > D8 57 0E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D6139602D0, 16 bytes long.
Data: <P > 50 04 0E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D613960280, 16 bytes long.
Data: <0 > 30 04 0E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D61395FBF0, 16 bytes long.
Data: < > E0 02 0E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D613960960, 16 bytes long.
Data: < > 10 04 0E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D61395FF60, 16 bytes long.
Data: <p > 70 04 0E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D613960230, 16 bytes long.
Data: < > 18 C0 0C 87 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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