Task 38657983
| Name | test_770-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND2445_0 |
| Workunit | 31601594 |
| Created | 24 Oct 2026, 12:12:32 UTC |
| Sent | 24 Oct 2026, 12:51:21 UTC |
| Report deadline | 29 Oct 2026, 12:51:21 UTC |
| Received | 24 Oct 2026, 14:36:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654681 |
| Run time | 23 min 11 sec |
| CPU time | 21 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,564.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.21 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:13:50 (31248): wrapper (7.9.26016): starting
11:13:50 (31248): 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
11:13:51 (31248): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:13:51 (31248): 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:\APPs\BOINC\Data\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 'D:\APPs\BOINC\Data\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
11:36:20 (31248): C:/Windows/system32/cmd.exe exited; CPU time 1307.796875
11:36:20 (31248): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 26899973 bytes.
Dumping objects ->
{3835626} normal block at 0x000001CC6BE2D5E0, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835615} normal block at 0x000001CC6BEC6A00, 32 bytes long.
Data: <HOME=D:\APPs\BOI> 48 4F 4D 45 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835604} normal block at 0x000001CC6BEC7480, 32 bytes long.
Data: <TMP=D:\APPs\BOIN> 54 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49 4E
{3835593} normal block at 0x000001CC6BEC64C0, 32 bytes long.
Data: <TEMP=D:\APPs\BOI> 54 45 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835582} normal block at 0x000001CC69F05860, 48 bytes long.
Data: <TMPDIR=D:\APPs\B> 54 4D 50 44 49 52 3D 44 3A 5C 41 50 50 73 5C 42
{3835551} normal block at 0x000001CC69F057F0, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
..\api\boinc_api.cpp(309) : {3835538} normal block at 0x000001CC69EFDC70, 8 bytes long.
Data: < ,j > 00 00 2C 6A CC 01 00 00
{3834065} normal block at 0x000001CC69EFE800, 8 bytes long.
Data: < W k > 80 57 ED 6B CC 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001CC69F01E50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001CC69EF6CA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001CC69F06EA0, 16 bytes long.
Data: < r i > 88 72 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CC69F060E0, 16 bytes long.
Data: <`r i > 60 72 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CC69F00800, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001CC69F06450, 16 bytes long.
Data: <8r i > 38 72 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CC69F06A40, 16 bytes long.
Data: < r i > 10 72 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CC69F062C0, 16 bytes long.
Data: < q i > E8 71 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CC69F064A0, 16 bytes long.
Data: < q i > C0 71 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CC69F05400, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001CC69F06400, 16 bytes long.
Data: < i > 88 F1 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CC69EFFC60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001CC69F06D10, 16 bytes long.
Data: <` i > 60 F1 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CC69F06090, 16 bytes long.
Data: <8 i > 38 F1 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CC69F061D0, 16 bytes long.
Data: < i > 10 F1 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CC69F067C0, 16 bytes long.
Data: < i > E8 F0 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CC69F06770, 16 bytes long.
Data: < i > C0 F0 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CC69F069A0, 16 bytes long.
Data: < i > 98 F0 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CC69EFFD80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001CC69F06E50, 16 bytes long.
Data: <p i > 70 F0 EE 69 CC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CC69EEF070, 320 bytes long.
Data: <Pn i i > 50 6E F0 69 CC 01 00 00 80 FD EF 69 CC 01 00 00
{278} normal block at 0x000001CC69F06DB0, 16 bytes long.
Data: < q i > A0 71 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CC69F066D0, 16 bytes long.
Data: <xq i > 78 71 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CC69F000E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001CC69F06680, 16 bytes long.
Data: <Pq i > 50 71 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CC69F00200, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001CC69F06C20, 16 bytes long.
Data: < p i > 98 70 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CC69F06040, 16 bytes long.
Data: <pp i > 70 70 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CC69F06950, 16 bytes long.
Data: <Hp i > 48 70 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CC69F06130, 16 bytes long.
Data: < p i > 20 70 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CC69F06BD0, 16 bytes long.
Data: < o i > F8 6F F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CC69F06B80, 16 bytes long.
Data: < o i > D0 6F F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CC69F06900, 16 bytes long.
Data: < S i > 90 53 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CC69F05390, 40 bytes long.
Data: < i i W i > 00 69 F0 69 CC 01 00 00 F0 57 F0 69 CC 01 00 00
{264} normal block at 0x000001CC69F06B30, 16 bytes long.
Data: < o i > B0 6F F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CC69F068B0, 16 bytes long.
Data: < o i > 88 6F F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CC69F005C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001CC69F06E00, 16 bytes long.
Data: <`o i > 60 6F F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CC69F06F60, 992 bytes long.
Data: < n i i > 00 6E F0 69 CC 01 00 00 C0 05 F0 69 CC 01 00 00
{96} normal block at 0x000001CC69EFFAE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001CC69EFE3A0, 16 bytes long.
Data: < X i > D0 58 F0 69 CC 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001CC69F058D0, 40 bytes long.
Data: < i i > A0 E3 EF 69 CC 01 00 00 E0 FA EF 69 CC 01 00 00
{71} normal block at 0x000001CC69EFDA90, 16 bytes long.
Data: < 0 > 80 EA 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CC69EFE210, 16 bytes long.
Data: <@ 0 > 40 E9 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CC69EFE620, 16 bytes long.
Data: < W- > F8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CC69EFE5D0, 16 bytes long.
Data: < W- > D8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CC69EFDFE0, 16 bytes long.
Data: <P - > 50 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CC69EFE580, 16 bytes long.
Data: <0 - > 30 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CC69EFE6C0, 16 bytes long.
Data: < - > E0 02 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CC69EFDD10, 16 bytes long.
Data: < - > 10 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CC69EFDDB0, 16 bytes long.
Data: <p - > 70 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CC69EFE760, 16 bytes long.
Data: < + > 18 C0 2B 20 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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