Task 38664940
| Name | test_372-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7100_0 |
| Workunit | 31608063 |
| Created | 25 Oct 2026, 0:24:07 UTC |
| Sent | 25 Oct 2026, 0:24:15 UTC |
| Report deadline | 30 Oct 2026, 0:24:15 UTC |
| Received | 25 Oct 2026, 13:04:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609629 |
| Run time | 8 hours 31 min 49 sec |
| CPU time | 8 hours 16 min 25 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 5,533.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.07 MB |
| Peak swap size | 18.79 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:19:32 (18412): wrapper (7.9.26016): starting
06:19:32 (18412): 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
06:19:35 (18412): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:19:35 (18412): 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\46\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\46\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.
09:38:49 (8936): wrapper (7.9.26016): starting
09:38:49 (8936): 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\46\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
10:48:19 (15096): wrapper (7.9.26016): starting
10:48:19 (15096): 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\46\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
15:03:53 (15096): C:/Windows/system32/cmd.exe exited; CPU time 14891.328125
15:03:53 (15096): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 290207773 bytes.
Dumping objects ->
{1598} normal block at 0x00000251C2A6F8F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1587} normal block at 0x00000251C2A6F880, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1576} normal block at 0x00000251C2A6F650, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1565} normal block at 0x00000251C2A6F570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1554} normal block at 0x00000251C2A6F730, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1523} normal block at 0x00000251C2A77300, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1512} normal block at 0x00000251C2A5E880, 180 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) : {1509} normal block at 0x00000251C2A77A50, 8 bytes long.
Data: < Q > 00 00 9C C2 51 02 00 00
{902} normal block at 0x00000251C2A5E790, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{299} normal block at 0x00000251C2A77C30, 8 bytes long.
Data: < Q > 10 8B A7 C2 51 02 00 00
{290} normal block at 0x00000251C2A70810, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x00000251C2A785E0, 16 bytes long.
Data: < Q > 18 8A A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000251C2A77D20, 16 bytes long.
Data: < Q > F0 89 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000251C2A71420, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x00000251C2A784F0, 16 bytes long.
Data: < Q > C8 89 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000251C2A784A0, 16 bytes long.
Data: < Q > A0 89 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000251C2A77730, 16 bytes long.
Data: <x Q > 78 89 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000251C2A78680, 16 bytes long.
Data: <P Q > 50 89 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000251C2A6FC70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x00000251C2A77BE0, 16 bytes long.
Data: < Q > A8 07 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000251C2A712A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x00000251C2A77B40, 16 bytes long.
Data: < Q > 80 07 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000251C2A77CD0, 16 bytes long.
Data: <X Q > 58 07 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000251C2A78400, 16 bytes long.
Data: <0 Q > 30 07 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000251C2A77870, 16 bytes long.
Data: < Q > 08 07 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000251C2A78540, 16 bytes long.
Data: < Q > E0 06 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000251C2A77910, 16 bytes long.
Data: < Q > B8 06 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000251C2A71180, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x00000251C2A78220, 16 bytes long.
Data: < Q > 90 06 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000251C2A70690, 320 bytes long.
Data: < Q Q > 20 82 A7 C2 51 02 00 00 80 11 A7 C2 51 02 00 00
{269} normal block at 0x00000251C2A77C80, 16 bytes long.
Data: <0 Q > 30 89 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000251C2A781D0, 16 bytes long.
Data: < Q > 08 89 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000251C2A70C40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x00000251C2A78310, 16 bytes long.
Data: < Q > E0 88 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000251C2A71060, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x00000251C2A78590, 16 bytes long.
Data: <( Q > 28 88 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000251C2A77FF0, 16 bytes long.
Data: < Q > 00 88 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000251C2A783B0, 16 bytes long.
Data: < Q > D8 87 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000251C2A78180, 16 bytes long.
Data: < Q > B0 87 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000251C2A782C0, 16 bytes long.
Data: < Q > 88 87 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000251C2A77DC0, 16 bytes long.
Data: <` Q > 60 87 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000251C2A77AF0, 16 bytes long.
Data: <` Q > 60 F9 A6 C2 51 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000251C2A6F960, 40 bytes long.
Data: < z Q s Q > F0 7A A7 C2 51 02 00 00 00 73 A7 C2 51 02 00 00
{255} normal block at 0x00000251C2A77820, 16 bytes long.
Data: <@ Q > 40 87 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000251C2A77FA0, 16 bytes long.
Data: < Q > 18 87 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000251C2A71AE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x00000251C2A77B90, 16 bytes long.
Data: < Q > F0 86 A7 C2 51 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000251C2A786F0, 992 bytes long.
Data: < { Q Q > 90 7B A7 C2 51 02 00 00 E0 1A A7 C2 51 02 00 00
{87} normal block at 0x00000251C2A714E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x00000251C2A6BB00, 16 bytes long.
Data: <@ Q > 40 FA A6 C2 51 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000251C2A6FA40, 40 bytes long.
Data: < Q Q > 00 BB A6 C2 51 02 00 00 E0 14 A7 C2 51 02 00 00
{64} normal block at 0x00000251C2A6B790, 16 bytes long.
Data: < IQ > 80 EA 49 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000251C2A6BAB0, 16 bytes long.
Data: <@ IQ > 40 E9 49 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000251C2A6B470, 16 bytes long.
Data: < WFQ > F8 57 46 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000251C2A6B920, 16 bytes long.
Data: < WFQ > D8 57 46 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000251C2A6B6F0, 16 bytes long.
Data: <P FQ > 50 04 46 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000251C2A6BA10, 16 bytes long.
Data: <0 FQ > 30 04 46 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000251C2A6AF70, 16 bytes long.
Data: < FQ > E0 02 46 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000251C2A6B380, 16 bytes long.
Data: < FQ > 10 04 46 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000251C2A6B420, 16 bytes long.
Data: <p FQ > 70 04 46 51 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000251C2A6B8D0, 16 bytes long.
Data: < DQ > 18 C0 44 51 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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