Task 38666726
| Name | test_974-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND5304_1 |
| Workunit | 31609151 |
| Created | 25 Oct 2026, 4:30:29 UTC |
| Sent | 25 Oct 2026, 4:53:49 UTC |
| Report deadline | 30 Oct 2026, 4:53:49 UTC |
| Received | 25 Oct 2026, 13:28:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645443 |
| Run time | 6 hours 42 min 19 sec |
| CPU time | 5 hours 43 min 50 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 19,172.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.06 MB |
| Peak swap size | 3.89 GB |
| Peak disk usage | 3.67 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:48:29 (25504): wrapper (7.9.26016): starting
06:48:29 (25504): 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
06:48:36 (25504): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:48:36 (25504): 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
13:28:08 (25504): C:/Windows/system32/cmd.exe exited; CPU time 20630.296875
13:28:08 (25504): 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: 659943039 bytes.
Dumping objects ->
{3835267} normal block at 0x0000027A4B9E0770, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x0000027A4B9E0700, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x0000027A4B9E0B60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835234} normal block at 0x0000027A4B9E0540, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835223} normal block at 0x0000027A4B9E0310, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835192} normal block at 0x0000027A4D7122A0, 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) : {3835179} normal block at 0x0000027A4D6C7460, 8 bytes long.
Data: < ÜKz > 00 00 DC 4B 7A 02 00 00
{3833969} normal block at 0x0000027A4D6C67E0, 8 bytes long.
Data: < EvMz > 90 45 76 4D 7A 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000027A4B9AC6A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000027A4B9A5C80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x0000027A4B9BA690, 16 bytes long.
Data: <Há›Kz > 48 E1 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000027A4B9BAEB0, 16 bytes long.
Data: < á›Kz > 20 E1 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000027A4B9B6110, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x0000027A4B9BA640, 16 bytes long.
Data: <øà›Kz > F8 E0 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000027A4B9BA5A0, 16 bytes long.
Data: <Ðà›Kz > D0 E0 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027A4B9BA550, 16 bytes long.
Data: <¨à›Kz > A8 E0 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027A4B9BA410, 16 bytes long.
Data: < à›Kz > 80 E0 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027A4B9B8640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x0000027A4B9BA7D0, 16 bytes long.
Data: <XÛ›Kz > 58 DB 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027A4B9B60B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x0000027A4B9BA2D0, 16 bytes long.
Data: <0Û›Kz > 30 DB 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027A4B9BADC0, 16 bytes long.
Data: < Û›Kz > 08 DB 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027A4B9BA9B0, 16 bytes long.
Data: <àÚ›Kz > E0 DA 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027A4B9BA8C0, 16 bytes long.
Data: <¸Ú›Kz > B8 DA 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027A4B9BA1E0, 16 bytes long.
Data: < Ú›Kz > 90 DA 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027A4B9BAAF0, 16 bytes long.
Data: <hÚ›Kz > 68 DA 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027A4B9B5FF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x0000027A4B9BAAA0, 16 bytes long.
Data: <@Ú›Kz > 40 DA 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027A4B9BDA40, 320 bytes long.
Data: < ª›Kz ð_›Kz > A0 AA 9B 4B 7A 02 00 00 F0 5F 9B 4B 7A 02 00 00
{280} normal block at 0x0000027A4B9BA960, 16 bytes long.
Data: <`à›Kz > 60 E0 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027A4B9BA280, 16 bytes long.
Data: <8à›Kz > 38 E0 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027A4B9B6410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x0000027A4B9BABE0, 16 bytes long.
Data: < à›Kz > 10 E0 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027A4B9B6050, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x0000027A4B9BAE60, 16 bytes long.
Data: <XߛKz > 58 DF 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027A4B9BAE10, 16 bytes long.
Data: <0ߛKz > 30 DF 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027A4B9BA500, 16 bytes long.
Data: < ߛKz > 08 DF 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027A4B9BA4B0, 16 bytes long.
Data: <àÞ›Kz > E0 DE 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027A4B9BA5F0, 16 bytes long.
Data: <¸Þ›Kz > B8 DE 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027A4B9BAD70, 16 bytes long.
Data: < Þ›Kz > 90 DE 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027A4B9BA190, 16 bytes long.
Data: <Ð…›Kz > D0 85 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027A4B9B85D0, 40 bytes long.
Data: < ¡›Kz  "qMz > 90 A1 9B 4B 7A 02 00 00 A0 22 71 4D 7A 02 00 00
{266} normal block at 0x0000027A4B9BA780, 16 bytes long.
Data: <pÞ›Kz > 70 DE 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027A4B9BA230, 16 bytes long.
Data: <HÞ›Kz > 48 DE 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027A4B9B6B30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x0000027A4B9BA730, 16 bytes long.
Data: < Þ›Kz > 20 DE 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027A4B9BDE20, 992 bytes long.
Data: <0§›Kz 0k›Kz > 30 A7 9B 4B 7A 02 00 00 30 6B 9B 4B 7A 02 00 00
{98} normal block at 0x0000027A4B9B6950, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x0000027A4B9BA910, 16 bytes long.
Data: <`…›Kz > 60 85 9B 4B 7A 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000027A4B9B8560, 40 bytes long.
Data: < ©›Kz Pi›Kz > 10 A9 9B 4B 7A 02 00 00 50 69 9B 4B 7A 02 00 00
{75} normal block at 0x0000027A4B9BAA00, 16 bytes long.
Data: < 굊ö > 80 EA B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000027A4B9ADAC0, 16 bytes long.
Data: <@鵊ö > 40 E9 B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000027A4B9AD700, 16 bytes long.
Data: <øW²Šö > F8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000027A4B9AD6B0, 16 bytes long.
Data: <ØW²Šö > D8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000027A4B9AD660, 16 bytes long.
Data: <P ²Šö > 50 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000027A4B9AD570, 16 bytes long.
Data: <0 ²Šö > 30 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027A4B9ADA20, 16 bytes long.
Data: <à ²Šö > E0 02 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027A4B9AD4D0, 16 bytes long.
Data: < ²Šö > 10 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027A4B9AD480, 16 bytes long.
Data: <p ²Šö > 70 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027A4B9AD930, 16 bytes long.
Data: < À°Šö > 18 C0 B0 8A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra