Task 38686929
| Name | test_857-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND5272_0 |
| Workunit | 31628338 |
| Created | 28 Oct 2026, 5:08:19 UTC |
| Sent | 28 Oct 2026, 5:08:28 UTC |
| Report deadline | 2 Nov 2026, 5:08:28 UTC |
| Received | 28 Oct 2026, 6:51:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651032 |
| Run time | 1 hours 35 min 24 sec |
| CPU time | 1 hours 19 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,503.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.06 MB |
| Peak swap size | 6.72 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:11:07 (41640): wrapper (7.9.26016): starting
06:11:07 (41640): 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
06:11:10 (41640): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:11:10 (41640): 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:\BOINC\slots\16\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:\BOINC\slots\16\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.
06:18:13 (2620): wrapper (7.9.26016): starting
06:18:13 (2620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo D:\BOINC\slots\16\tmp.
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
07:50:47 (2620): C:/Windows/system32/cmd.exe exited; CPU time 4785.421875
07:50:47 (2620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 136491513 bytes.
Dumping objects ->
{1880} normal block at 0x00000217BF406490, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1869} normal block at 0x00000217BF4010A0, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1858} normal block at 0x00000217BF4018E0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1847} normal block at 0x00000217BF401B80, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1836} normal block at 0x00000217BF401B20, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1805} normal block at 0x00000217BF406650, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1794} normal block at 0x00000217BF3EF090, 140 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) : {1791} normal block at 0x00000217BF4070F0, 8 bytes long.
Data: < > 00 00 95 BF 17 02 00 00
{1048} normal block at 0x00000217BF3EF9E0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{313} normal block at 0x00000217BF407230, 8 bytes long.
Data: < @ > 20 80 40 BF 17 02 00 00
{304} normal block at 0x00000217BF3F7170, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x00000217BF406D80, 16 bytes long.
Data: <( @ > 28 7F 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000217BF407000, 16 bytes long.
Data: < @ > 00 7F 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000217BF401220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x00000217BF4079B0, 16 bytes long.
Data: < ~@ > D8 7E 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000217BF406D30, 16 bytes long.
Data: < ~@ > B0 7E 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000217BF406FB0, 16 bytes long.
Data: < ~@ > 88 7E 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000217BF406F10, 16 bytes long.
Data: <`~@ > 60 7E 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000217BF406420, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x00000217BF407960, 16 bytes long.
Data: < @ > A8 07 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000217BF400EC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x00000217BF4078C0, 16 bytes long.
Data: < @ > 80 07 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000217BF4076E0, 16 bytes long.
Data: <X @ > 58 07 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000217BF406F60, 16 bytes long.
Data: <0 @ > 30 07 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000217BF407190, 16 bytes long.
Data: < @ > 08 07 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000217BF407320, 16 bytes long.
Data: < @ > E0 06 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000217BF4075F0, 16 bytes long.
Data: < @ > B8 06 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000217BF401100, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x00000217BF4070A0, 16 bytes long.
Data: < @ > 90 06 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000217BF400690, 320 bytes long.
Data: < p@ @ > A0 70 40 BF 17 02 00 00 00 11 40 BF 17 02 00 00
{283} normal block at 0x00000217BF4073C0, 16 bytes long.
Data: <@~@ > 40 7E 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000217BF406C90, 16 bytes long.
Data: < ~@ > 18 7E 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000217BF401880, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x00000217BF406EC0, 16 bytes long.
Data: < }@ > F0 7D 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000217BF400DA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x00000217BF406C40, 16 bytes long.
Data: <8}@ > 38 7D 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000217BF407870, 16 bytes long.
Data: < }@ > 10 7D 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000217BF407140, 16 bytes long.
Data: < |@ > E8 7C 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000217BF4077D0, 16 bytes long.
Data: < |@ > C0 7C 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000217BF4071E0, 16 bytes long.
Data: < |@ > 98 7C 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000217BF407460, 16 bytes long.
Data: <p|@ > 70 7C 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000217BF406E70, 16 bytes long.
Data: <@c@ > 40 63 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000217BF406340, 40 bytes long.
Data: <pn@ Pf@ > 70 6E 40 BF 17 02 00 00 50 66 40 BF 17 02 00 00
{269} normal block at 0x00000217BF407820, 16 bytes long.
Data: <P|@ > 50 7C 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000217BF4074B0, 16 bytes long.
Data: <(|@ > 28 7C 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000217BF4014C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x00000217BF407A50, 16 bytes long.
Data: < |@ > 00 7C 40 BF 17 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000217BF407C00, 992 bytes long.
Data: <Pz@ @ > 50 7A 40 BF 17 02 00 00 C0 14 40 BF 17 02 00 00
{101} normal block at 0x00000217BF400F20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x00000217BF3FEDF0, 16 bytes long.
Data: < > > 00 D2 3E BF 17 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x00000217BF3ED200, 40 bytes long.
Data: < ? @ > F0 ED 3F BF 17 02 00 00 20 0F 40 BF 17 02 00 00
{78} normal block at 0x00000217BF3FE210, 16 bytes long.
Data: < > 80 EA D2 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000217BF3FEDA0, 16 bytes long.
Data: <@ > 40 E9 D2 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000217BF3FED50, 16 bytes long.
Data: < W > F8 57 CF 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000217BF3FE2B0, 16 bytes long.
Data: < W > D8 57 CF 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000217BF3FE710, 16 bytes long.
Data: <P > 50 04 CF 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000217BF3FECB0, 16 bytes long.
Data: <0 > 30 04 CF 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000217BF3FEA80, 16 bytes long.
Data: < > E0 02 CF 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000217BF3FE940, 16 bytes long.
Data: < > 10 04 CF 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000217BF3FF110, 16 bytes long.
Data: <p > 70 04 CF 96 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000217BF3FE760, 16 bytes long.
Data: < > 18 C0 CD 96 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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