Task 38659965
| Name | test_1813-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND4747_0 |
| Workunit | 31603497 |
| Created | 24 Oct 2026, 13:41:48 UTC |
| Sent | 24 Oct 2026, 16:53:08 UTC |
| Report deadline | 29 Oct 2026, 16:53:08 UTC |
| Received | 24 Oct 2026, 19:30:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654134 |
| Run time | 39 min 41 sec |
| CPU time | 36 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,827.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 630.78 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 4.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:07:47 (49084): wrapper (7.9.26016): starting
12:07:47 (49084): 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
12:07:49 (49084): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:07:49 (49084): 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\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 'C:\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
12:46:18 (49084): C:/Windows/system32/cmd.exe exited; CPU time 2189.078125
12:46:18 (49084): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 54742039 bytes.
Dumping objects ->
{3835490} normal block at 0x000002BCE3A85680, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x000002BCE3A858B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000002BCE3A85610, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835457} normal block at 0x000002BCE3A85530, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835446} normal block at 0x000002BCE3A856F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835415} normal block at 0x000002BCE57C85C0, 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) : {3835402} normal block at 0x000002BCE3A7E250, 8 bytes long.
Data: < íã¼ > 00 00 ED E3 BC 02 00 00
{3833961} normal block at 0x000002BCE3A7DA30, 8 bytes long.
Data: <ÐV‚å¼ > D0 56 82 E5 BC 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002BCE3A82170, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002BCE3A76FB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002BCE3A86AB0, 16 bytes long.
Data: <Xr¨ã¼ > 58 72 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BCE3A861F0, 16 bytes long.
Data: <0r¨ã¼ > 30 72 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002BCE3A800E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002BCE3A869C0, 16 bytes long.
Data: < r¨ã¼ > 08 72 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002BCE3A86470, 16 bytes long.
Data: <àq¨ã¼ > E0 71 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002BCE3A86970, 16 bytes long.
Data: <¸q¨ã¼ > B8 71 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BCE3A860B0, 16 bytes long.
Data: < q¨ã¼ > 90 71 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002BCE3A85290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002BCE3A86010, 16 bytes long.
Data: <øô¦ã¼ > F8 F4 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BCE3A7F840, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002BCE3A86A10, 16 bytes long.
Data: <Ðô¦ã¼ > D0 F4 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BCE3A86E70, 16 bytes long.
Data: <¨ô¦ã¼ > A8 F4 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BCE3A85FC0, 16 bytes long.
Data: < ô¦ã¼ > 80 F4 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BCE3A86DD0, 16 bytes long.
Data: <Xô¦ã¼ > 58 F4 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BCE3A85F70, 16 bytes long.
Data: <0ô¦ã¼ > 30 F4 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BCE3A86330, 16 bytes long.
Data: < ô¦ã¼ > 08 F4 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BCE3A7FA20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002BCE3A865B0, 16 bytes long.
Data: <àó¦ã¼ > E0 F3 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BCE3A6F3E0, 320 bytes long.
Data: <°e¨ã¼ ú§ã¼ > B0 65 A8 E3 BC 02 00 00 20 FA A7 E3 BC 02 00 00
{276} normal block at 0x000002BCE3A86C40, 16 bytes long.
Data: <pq¨ã¼ > 70 71 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BCE3A86240, 16 bytes long.
Data: <Hq¨ã¼ > 48 71 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BCE3A7F8A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002BCE3A868D0, 16 bytes long.
Data: < q¨ã¼ > 20 71 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BCE3A80080, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002BCE3A86920, 16 bytes long.
Data: <hp¨ã¼ > 68 70 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BCE3A86880, 16 bytes long.
Data: <@p¨ã¼ > 40 70 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002BCE3A86420, 16 bytes long.
Data: < p¨ã¼ > 18 70 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BCE3A86E20, 16 bytes long.
Data: <ðo¨ã¼ > F0 6F A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BCE3A86510, 16 bytes long.
Data: <Èo¨ã¼ > C8 6F A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BCE3A863D0, 16 bytes long.
Data: < o¨ã¼ > A0 6F A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BCE3A86BA0, 16 bytes long.
Data: <àS¨ã¼ > E0 53 A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BCE3A853E0, 40 bytes long.
Data: < k¨ã¼ À…|å¼ > A0 6B A8 E3 BC 02 00 00 C0 85 7C E5 BC 02 00 00
{262} normal block at 0x000002BCE3A86790, 16 bytes long.
Data: < o¨ã¼ > 80 6F A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BCE3A866F0, 16 bytes long.
Data: <Xo¨ã¼ > 58 6F A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BCE3A80140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002BCE3A86BF0, 16 bytes long.
Data: <0o¨ã¼ > 30 6F A8 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002BCE3A86F30, 992 bytes long.
Data: <ðk¨ã¼ @ ¨ã¼ > F0 6B A8 E3 BC 02 00 00 40 01 A8 E3 BC 02 00 00
{94} normal block at 0x000002BCE3A80500, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002BCE3A7E660, 16 bytes long.
Data: < ñ¦ã¼ > 00 F1 A6 E3 BC 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002BCE3A6F100, 40 bytes long.
Data: <`æ§ã¼ ¨ã¼ > 60 E6 A7 E3 BC 02 00 00 00 05 A8 E3 BC 02 00 00
{71} normal block at 0x000002BCE3A7E430, 16 bytes long.
Data: < êöeö > 80 EA F6 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002BCE3A7E020, 16 bytes long.
Data: <@éöeö > 40 E9 F6 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002BCE3A7E3E0, 16 bytes long.
Data: <øWóeö > F8 57 F3 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BCE3A7E340, 16 bytes long.
Data: <ØWóeö > D8 57 F3 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BCE3A7E5C0, 16 bytes long.
Data: <P óeö > 50 04 F3 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BCE3A7D990, 16 bytes long.
Data: <0 óeö > 30 04 F3 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BCE3A7DAD0, 16 bytes long.
Data: <à óeö > E0 02 F3 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002BCE3A7DF30, 16 bytes long.
Data: < óeö > 10 04 F3 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BCE3A7E390, 16 bytes long.
Data: <p óeö > 70 04 F3 65 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BCE3A7E2F0, 16 bytes long.
Data: < Àñeö > 18 C0 F1 65 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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