Task 38663433
| Name | test_319-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7609_0 |
| Workunit | 31606641 |
| Created | 24 Oct 2026, 21:58:46 UTC |
| Sent | 24 Oct 2026, 21:59:38 UTC |
| Report deadline | 29 Oct 2026, 21:59:38 UTC |
| Received | 24 Oct 2026, 22:56:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 645443 |
| Run time | 45 min 55 sec |
| CPU time | 36 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| 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 | 692.71 MB |
| Peak swap size | 3.89 GB |
| Peak disk usage | 3.59 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:12:21 (16112): wrapper (7.9.26016): starting
23:12:21 (16112): 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
23:12:26 (16112): Library/usr/bin/tar.exe exited; CPU time 0.234375
23:12:26 (16112): 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
23:55:40 (16112): C:/Windows/system32/cmd.exe exited; CPU time 2203.890625
23:55:40 (16112): 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: 71394447 bytes.
Dumping objects ->
{3835267} normal block at 0x0000020ED6870CB0, 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 0x0000020ED68708C0, 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 0x0000020ED6870460, 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 0x0000020ED6870B60, 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 0x0000020ED68707E0, 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 0x0000020ED87F0190, 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 0x0000020ED684AC30, 8 bytes long.
Data: < ÏÖ > 00 00 CF D6 0E 02 00 00
{3833969} normal block at 0x0000020ED684A3C0, 8 bytes long.
Data: < „Ø > 10 12 84 D8 0E 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020ED683C060, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000020ED6835C80, 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 0x0000020ED684AE60, 16 bytes long.
Data: <Há„Ö > 48 E1 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020ED684ABE0, 16 bytes long.
Data: < á„Ö > 20 E1 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020ED6846590, 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 0x0000020ED684AD70, 16 bytes long.
Data: <øà„Ö > F8 E0 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020ED684A9B0, 16 bytes long.
Data: <Ðà„Ö > D0 E0 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020ED684A190, 16 bytes long.
Data: <¨à„Ö > A8 E0 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020ED684AB90, 16 bytes long.
Data: < à„Ö > 80 E0 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020ED68482C0, 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 0x0000020ED684A910, 16 bytes long.
Data: <XÛ„Ö > 58 DB 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020ED6846110, 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 0x0000020ED684A8C0, 16 bytes long.
Data: <0Û„Ö > 30 DB 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020ED684A140, 16 bytes long.
Data: < Û„Ö > 08 DB 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020ED684AAF0, 16 bytes long.
Data: <àÚ„Ö > E0 DA 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020ED684A2D0, 16 bytes long.
Data: <¸Ú„Ö > B8 DA 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020ED684AAA0, 16 bytes long.
Data: < Ú„Ö > 90 DA 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020ED684A0F0, 16 bytes long.
Data: <hÚ„Ö > 68 DA 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020ED6845F30, 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 0x0000020ED684A690, 16 bytes long.
Data: <@Ú„Ö > 40 DA 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020ED684DA40, 320 bytes long.
Data: < ¦„Ö 0_„Ö > 90 A6 84 D6 0E 02 00 00 30 5F 84 D6 0E 02 00 00
{280} normal block at 0x0000020ED684A280, 16 bytes long.
Data: <`à„Ö > 60 E0 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020ED684AE10, 16 bytes long.
Data: <8à„Ö > 38 E0 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020ED68462F0, 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 0x0000020ED684A500, 16 bytes long.
Data: < à„Ö > 10 E0 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020ED6846D70, 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 0x0000020ED684AFA0, 16 bytes long.
Data: <Xß„Ö > 58 DF 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020ED684AA00, 16 bytes long.
Data: <0ß„Ö > 30 DF 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020ED684A4B0, 16 bytes long.
Data: < ß„Ö > 08 DF 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020ED684AB40, 16 bytes long.
Data: <àÞ„Ö > E0 DE 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020ED684A5F0, 16 bytes long.
Data: <¸Þ„Ö > B8 DE 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020ED684A5A0, 16 bytes long.
Data: < Þ„Ö > 90 DE 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020ED684A230, 16 bytes long.
Data: <p „Ö > 70 81 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020ED6848170, 40 bytes long.
Data: <0¢„Ö Ø > 30 A2 84 D6 0E 02 00 00 90 01 7F D8 0E 02 00 00
{266} normal block at 0x0000020ED684A320, 16 bytes long.
Data: <pÞ„Ö > 70 DE 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020ED684A820, 16 bytes long.
Data: <HÞ„Ö > 48 DE 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020ED6846650, 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 0x0000020ED684A960, 16 bytes long.
Data: < Þ„Ö > 20 DE 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020ED684DE20, 992 bytes long.
Data: <`©„Ö Pf„Ö > 60 A9 84 D6 0E 02 00 00 50 66 84 D6 0E 02 00 00
{98} normal block at 0x0000020ED6846470, 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 0x0000020ED684AD20, 16 bytes long.
Data: <@ „Ö > 40 7F 84 D6 0E 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000020ED6847F40, 40 bytes long.
Data: < ­„Ö pd„Ö > 20 AD 84 D6 0E 02 00 00 70 64 84 D6 0E 02 00 00
{75} normal block at 0x0000020ED684A050, 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 0x0000020ED683D070, 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 0x0000020ED683D0C0, 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 0x0000020ED683DFC0, 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 0x0000020ED683DCF0, 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 0x0000020ED683DCA0, 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 0x0000020ED683D9D0, 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 0x0000020ED683DBB0, 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 0x0000020ED683D980, 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 0x0000020ED683DA20, 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