Task 38689592
| Name | test_824-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3280_0 |
| Workunit | 31630830 |
| Created | 28 Oct 2026, 22:02:30 UTC |
| Sent | 28 Oct 2026, 22:02:36 UTC |
| Report deadline | 2 Nov 2026, 22:02:36 UTC |
| Received | 2 Nov 2026, 2:04:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654795 |
| Run time | 40 min 8 sec |
| CPU time | 38 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,206.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.43 MB |
| Peak swap size | 6.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:14:39 (10244): wrapper (7.9.26016): starting
17:14:39 (10244): 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
17:14:42 (10244): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:14:42 (10244): 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:\BOINC\programdata\BOINC\slots\2\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:\BOINC\programdata\BOINC\slots\2\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.
17:36:16 (24620): wrapper (7.9.26016): starting
17:36:16 (24620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\BOINC\programdata\BOINC\slots\2\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
18:04:00 (24620): C:/Windows/system32/cmd.exe exited; CPU time 1695.046875
18:04:00 (24620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
272 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: 27192208 bytes.
Dumping objects ->
{1775} normal block at 0x0000024CD6E5B550, 64 bytes long.
Data: <PATH=C:\boinc\Pr> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 50 72
{1764} normal block at 0x0000024CD6E74390, 48 bytes long.
Data: <HOME=C:\boinc\Pr> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 50 72
{1753} normal block at 0x0000024CD6E74320, 48 bytes long.
Data: <TMP=C:\boinc\Pro> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 50 72 6F
{1742} normal block at 0x0000024CD6E744E0, 48 bytes long.
Data: <TEMP=C:\boinc\Pr> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 50 72
{1731} normal block at 0x0000024CD6E742B0, 48 bytes long.
Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C
{1700} normal block at 0x0000024CD6E6DE90, 64 bytes long.
Data: <PATH=C:\boinc\Pr> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 50 72
..\api\boinc_api.cpp(309) : {1687} normal block at 0x0000024CD6E75FF0, 8 bytes long.
Data: < K L > 00 00 4B D7 4C 02 00 00
{304} normal block at 0x0000024CD6E75640, 8 bytes long.
Data: < b L > E0 62 E7 D6 4C 02 00 00
{295} normal block at 0x0000024CD6E5E0B0, 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 0x0000024CD6E758C0, 16 bytes long.
Data: < Q L > D8 51 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024CD6E75C30, 16 bytes long.
Data: < Q L > B0 51 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024CD6E6EEF0, 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 0x0000024CD6E760E0, 16 bytes long.
Data: < Q L > 88 51 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024CD6E75910, 16 bytes long.
Data: <`Q L > 60 51 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024CD6E75BE0, 16 bytes long.
Data: <8Q L > 38 51 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024CD6E755A0, 16 bytes long.
Data: < Q L > 10 51 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024CD6E741D0, 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 0x0000024CD6E76180, 16 bytes long.
Data: < L > E8 B4 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024CD6E6E350, 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 0x0000024CD6E75F50, 16 bytes long.
Data: < L > C0 B4 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024CD6E75D70, 16 bytes long.
Data: < L > 98 B4 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024CD6E76270, 16 bytes long.
Data: <p L > 70 B4 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024CD6E75DC0, 16 bytes long.
Data: <H L > 48 B4 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024CD6E75B40, 16 bytes long.
Data: < L > 20 B4 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024CD6E75FA0, 16 bytes long.
Data: < L > F8 B3 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024CD6E6EDD0, 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 0x0000024CD6E75730, 16 bytes long.
Data: < L > D0 B3 E5 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024CD6E5B3D0, 320 bytes long.
Data: <0W L L > 30 57 E7 D6 4C 02 00 00 D0 ED E6 D6 4C 02 00 00
{274} normal block at 0x0000024CD6E75870, 16 bytes long.
Data: < P L > F0 50 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024CD6E756E0, 16 bytes long.
Data: < P L > C8 50 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024CD6E6E410, 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 0x0000024CD6E755F0, 16 bytes long.
Data: < P L > A0 50 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024CD6E6EE90, 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 0x0000024CD6E75370, 16 bytes long.
Data: < O L > E8 4F E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024CD6E75690, 16 bytes long.
Data: < O L > C0 4F E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024CD6E76090, 16 bytes long.
Data: < O L > 98 4F E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024CD6E75460, 16 bytes long.
Data: <pO L > 70 4F E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024CD6E6F190, 16 bytes long.
Data: <HO L > 48 4F E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024CD6E6FD70, 16 bytes long.
Data: < O L > 20 4F E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024CD6E6FD20, 16 bytes long.
Data: <@B L > 40 42 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024CD6E74240, 40 bytes long.
Data: < L L > 20 FD E6 D6 4C 02 00 00 90 DE E6 D6 4C 02 00 00
{260} normal block at 0x0000024CD6E6FF00, 16 bytes long.
Data: < O L > 00 4F E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024CD6E6FA00, 16 bytes long.
Data: < N L > D8 4E E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024CD6E6E470, 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 0x0000024CD6E6F9B0, 16 bytes long.
Data: < N L > B0 4E E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024CD6E74EB0, 992 bytes long.
Data: < L p L > B0 F9 E6 D6 4C 02 00 00 70 E4 E6 D6 4C 02 00 00
{92} normal block at 0x0000024CD6E6E950, 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 0x0000024CD6E6F280, 16 bytes long.
Data: <`A L > 60 41 E7 D6 4C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000024CD6E74160, 40 bytes long.
Data: < L P L > 80 F2 E6 D6 4C 02 00 00 50 E9 E6 D6 4C 02 00 00
{69} normal block at 0x0000024CD6E6FE60, 16 bytes long.
Data: < n > 80 EA 6E 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024CD6E6F230, 16 bytes long.
Data: <@ n > 40 E9 6E 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024CD6E6FA50, 16 bytes long.
Data: < Wk > F8 57 6B 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024CD6E6F370, 16 bytes long.
Data: < Wk > D8 57 6B 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024CD6E6F780, 16 bytes long.
Data: <P k > 50 04 6B 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024CD6E6F140, 16 bytes long.
Data: <0 k > 30 04 6B 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024CD6E6F640, 16 bytes long.
Data: < k > E0 02 6B 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024CD6E6F5F0, 16 bytes long.
Data: < k > 10 04 6B 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024CD6E6F5A0, 16 bytes long.
Data: <p k > 70 04 6B 16 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024CD6E6F1E0, 16 bytes long.
Data: < i > 18 C0 69 16 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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