Task 38675681
| Name | test_899-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5593_1 |
| Workunit | 31617584 |
| Created | 26 Oct 2026, 8:58:30 UTC |
| Sent | 26 Oct 2026, 8:58:37 UTC |
| Report deadline | 31 Oct 2026, 8:58:37 UTC |
| Received | 26 Oct 2026, 9:42:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 580989 |
| Run time | 23 min 48 sec |
| CPU time | 21 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 746.01 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:18:56 (11804): wrapper (7.9.26016): starting
10:18:56 (11804): 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
10:18:57 (11804): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:18:57 (11804): 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\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:\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.
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
10:41:54 (11804): C:/Windows/system32/cmd.exe exited; CPU time 1262.484375
10:41:54 (11804): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 20692551 bytes.
Dumping objects ->
{3835250} normal block at 0x0000022DB4FC11E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835239} normal block at 0x0000022DB4FC0AE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x0000022DB4FC0CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835217} normal block at 0x0000022DB4FC0990, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x0000022DB4FC1100, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835175} normal block at 0x0000022DB506BDB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835162} normal block at 0x0000022DB3396D50, 8 bytes long.
Data: < 6³- > 00 00 36 B3 2D 02 00 00
{3833957} normal block at 0x0000022DB3397250, 8 bytes long.
Data: <P×G³- > 50 D7 47 B3 2D 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000022DB33A15F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000022DB33A2530, 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 0x0000022DB33A34E0, 16 bytes long.
Data: < =:³- > 18 3D 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022DB33A33F0, 16 bytes long.
Data: <ð<:³- > F0 3C 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022DB339B780, 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 0x0000022DB33A3030, 16 bytes long.
Data: <È<:³- > C8 3C 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022DB33A3120, 16 bytes long.
Data: < <:³- > A0 3C 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022DB33A3490, 16 bytes long.
Data: <x<:³- > 78 3C 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022DB33A2CC0, 16 bytes long.
Data: <P<:³- > 50 3C 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022DB339D5E0, 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 0x0000022DB33A33A0, 16 bytes long.
Data: <È$:³- > C8 24 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022DB339BEA0, 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 0x0000022DB33A3300, 16 bytes long.
Data: < $:³- > A0 24 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022DB33A2EF0, 16 bytes long.
Data: <x$:³- > 78 24 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022DB33A3440, 16 bytes long.
Data: <P$:³- > 50 24 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022DB33A2C70, 16 bytes long.
Data: <($:³- > 28 24 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022DB33A2A90, 16 bytes long.
Data: < $:³- > 00 24 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022DB33A2BD0, 16 bytes long.
Data: <Ø#:³- > D8 23 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022DB339BF60, 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 0x0000022DB33A2AE0, 16 bytes long.
Data: <°#:³- > B0 23 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022DB33A23B0, 320 bytes long.
Data: <à*:³- `¿9³- > E0 2A 3A B3 2D 02 00 00 60 BF 39 B3 2D 02 00 00
{274} normal block at 0x0000022DB33A2DB0, 16 bytes long.
Data: <0<:³- > 30 3C 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022DB33A2A40, 16 bytes long.
Data: < <:³- > 08 3C 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022DB339C1A0, 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 0x0000022DB33A2860, 16 bytes long.
Data: <à;:³- > E0 3B 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022DB339C020, 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 0x0000022DB33A3260, 16 bytes long.
Data: <(;:³- > 28 3B 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000022DB33A29A0, 16 bytes long.
Data: < ;:³- > 00 3B 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022DB33A2950, 16 bytes long.
Data: <Ø::³- > D8 3A 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022DB33A2900, 16 bytes long.
Data: <°::³- > B0 3A 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022DB33A2FE0, 16 bytes long.
Data: < ::³- > 88 3A 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022DB33A3210, 16 bytes long.
Data: <`::³- > 60 3A 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022DB33A2F90, 16 bytes long.
Data: <`Ò9³- > 60 D2 39 B3 2D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022DB339D260, 40 bytes long.
Data: < /:³- °½ µ- > 90 2F 3A B3 2D 02 00 00 B0 BD 06 B5 2D 02 00 00
{260} normal block at 0x0000022DB33A2E00, 16 bytes long.
Data: <@::³- > 40 3A 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022DB33A2D10, 16 bytes long.
Data: < ::³- > 18 3A 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022DB339C200, 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 0x0000022DB33A28B0, 16 bytes long.
Data: <ð9:³- > F0 39 3A B3 2D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000022DB33A39F0, 992 bytes long.
Data: <°(:³- Â9³- > B0 28 3A B3 2D 02 00 00 00 C2 39 B3 2D 02 00 00
{92} normal block at 0x0000022DB339C260, 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 0x0000022DB33972A0, 16 bytes long.
Data: < Ô9³- > 20 D4 39 B3 2D 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000022DB339D420, 40 bytes long.
Data: < r9³- `Â9³- > A0 72 39 B3 2D 02 00 00 60 C2 39 B3 2D 02 00 00
{69} normal block at 0x0000022DB3397520, 16 bytes long.
Data: < ê¶ ÷ > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000022DB3397570, 16 bytes long.
Data: <@é¶ ÷ > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022DB3397020, 16 bytes long.
Data: <øW³ ÷ > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022DB3397200, 16 bytes long.
Data: <ØW³ ÷ > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022DB3396A80, 16 bytes long.
Data: <P ³ ÷ > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022DB3397110, 16 bytes long.
Data: <0 ³ ÷ > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022DB3397340, 16 bytes long.
Data: <à ³ ÷ > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022DB3396F80, 16 bytes long.
Data: < ³ ÷ > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022DB3396940, 16 bytes long.
Data: <p ³ ÷ > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022DB3396D00, 16 bytes long.
Data: < À± ÷ > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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