Task 38658070
| Name | test_797-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1562_0 |
| Workunit | 31601675 |
| Created | 24 Oct 2026, 12:17:41 UTC |
| Sent | 24 Oct 2026, 12:58:42 UTC |
| Report deadline | 29 Oct 2026, 12:58:42 UTC |
| Received | 24 Oct 2026, 23:31:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593343 |
| Run time | 1 hours 4 min 59 sec |
| CPU time | 1 hours 0 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,906.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.37 MB |
| Peak swap size | 5.23 GB |
| Peak disk usage | 4.15 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:27:43 (59920): wrapper (7.9.26016): starting
07:27:43 (59920): 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
07:27:45 (59920): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:27:45 (59920): 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 'E:\ProgramData\BOINC\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 'E:\ProgramData\BOINC\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
08:29:56 (59920): C:/Windows/system32/cmd.exe exited; CPU time 3654.437500
08:29:56 (59920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 83242391 bytes.
Dumping objects ->
{3835605} normal block at 0x000001C4CB92AF70, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835594} normal block at 0x000001C4CB905140, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835583} normal block at 0x000001C4CB904FF0, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835572} normal block at 0x000001C4CB904F10, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835561} normal block at 0x000001C4CB904EA0, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{3835530} normal block at 0x000001C4CD8B7990, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{3835519} normal block at 0x000001C4CB95CF70, 135 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) : {3835516} normal block at 0x000001C4CB8FF250, 8 bytes long.
Data: < ÍÄ > 00 00 9D CD C4 01 00 00
{3834770} normal block at 0x000001C4CB95C0D0, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834037} normal block at 0x000001C4CB8FEE90, 8 bytes long.
Data: < F ÍÄ > F0 46 91 CD C4 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C4CB8FE0D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C4CB8F6410, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001C4CB906840, 16 bytes long.
Data: < m ËÄ > 18 6D 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C4CB906660, 16 bytes long.
Data: < l ËÄ > F0 6C 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C4CB904140, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001C4CB9064D0, 16 bytes long.
Data: <Èl ËÄ > C8 6C 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C4CB905CB0, 16 bytes long.
Data: < l ËÄ > A0 6C 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C4CB9068E0, 16 bytes long.
Data: <xl ËÄ > 78 6C 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C4CB9067F0, 16 bytes long.
Data: <Pl ËÄ > 50 6C 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C4CB905060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001C4CB906480, 16 bytes long.
Data: <¸ ËÄ > B8 93 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C4CB904980, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001C4CB906610, 16 bytes long.
Data: < ËÄ > 90 93 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C4CB906200, 16 bytes long.
Data: <h ËÄ > 68 93 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C4CB905F80, 16 bytes long.
Data: <@ ËÄ > 40 93 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C4CB905EE0, 16 bytes long.
Data: < ËÄ > 18 93 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C4CB9067A0, 16 bytes long.
Data: < ËÄ > F0 92 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C4CB906110, 16 bytes long.
Data: <È ËÄ > C8 92 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C4CB904260, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001C4CB905A80, 16 bytes long.
Data: < ËÄ > A0 92 8F CB C4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C4CB8F92A0, 320 bytes long.
Data: < Z ËÄ `B ËÄ > 80 5A 90 CB C4 01 00 00 60 42 90 CB C4 01 00 00
{271} normal block at 0x000001C4CB906980, 16 bytes long.
Data: <0l ËÄ > 30 6C 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C4CB905E90, 16 bytes long.
Data: < l ËÄ > 08 6C 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C4CB9040E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001C4CB9065C0, 16 bytes long.
Data: < k ËÄ > E0 6B 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C4CB9047A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001C4CB905FD0, 16 bytes long.
Data: <(k ËÄ > 28 6B 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C4CB905B20, 16 bytes long.
Data: < k ËÄ > 00 6B 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C4CB905E40, 16 bytes long.
Data: <Øj ËÄ > D8 6A 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C4CB906570, 16 bytes long.
Data: <°j ËÄ > B0 6A 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C4CB905F30, 16 bytes long.
Data: < j ËÄ > 88 6A 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C4CB905DA0, 16 bytes long.
Data: <`j ËÄ > 60 6A 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C4CB906750, 16 bytes long.
Data: <°Q ËÄ > B0 51 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C4CB9051B0, 40 bytes long.
Data: <Pg ËÄ y ÍÄ > 50 67 90 CB C4 01 00 00 90 79 8B CD C4 01 00 00
{257} normal block at 0x000001C4CB905C60, 16 bytes long.
Data: <@j ËÄ > 40 6A 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C4CB906390, 16 bytes long.
Data: < j ËÄ > 18 6A 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C4CB904740, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001C4CB905DF0, 16 bytes long.
Data: < i ËÄ > F0 69 90 CB C4 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001C4CB9069F0, 992 bytes long.
Data: < ] ËÄ @G ËÄ > F0 5D 90 CB C4 01 00 00 40 47 90 CB C4 01 00 00
{89} normal block at 0x000001C4CB904860, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001C4CB8FF700, 16 bytes long.
Data: < ËÄ > 80 F0 8E CB C4 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001C4CB8EF080, 40 bytes long.
Data: < ËÄ `H ËÄ > 00 F7 8F CB C4 01 00 00 60 48 90 CB C4 01 00 00
{64} normal block at 0x000001C4CB8FF430, 16 bytes long.
Data: < Ö > 80 EA 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C4CB8FF520, 16 bytes long.
Data: <@ Ö > 40 E9 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C4CB8FEF80, 16 bytes long.
Data: < W Ö > F8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C4CB8FED50, 16 bytes long.
Data: <ØW Ö > D8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C4CB8FF980, 16 bytes long.
Data: <P Ö > 50 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C4CB8FF160, 16 bytes long.
Data: <0 Ö > 30 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C4CB8FF340, 16 bytes long.
Data: < Ö > E0 02 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C4CB8FED00, 16 bytes long.
Data: < Ö > 10 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C4CB8FF7F0, 16 bytes long.
Data: <p Ö > 70 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001C4CB8FF070, 16 bytes long.
Data: < À Ö > 18 C0 98 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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