Task 38683620
| Name | test_20-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3950_0 |
| Workunit | 31625171 |
| Created | 27 Oct 2026, 12:35:01 UTC |
| Sent | 27 Oct 2026, 12:35:15 UTC |
| Report deadline | 1 Nov 2026, 12:35:15 UTC |
| Received | 27 Oct 2026, 14:52:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653700 |
| Run time | 45 min 38 sec |
| CPU time | 41 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 708.63 MB |
| Peak swap size | 5.36 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
15:07:42 (30600): wrapper (7.9.26016): starting
15:07:42 (30600): 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
15:07:44 (30600): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:07:44 (30600): 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\10\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\10\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
15:51:51 (30600): C:/Windows/system32/cmd.exe exited; CPU time 2465.515625
15:51:51 (30600): 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: 54781999 bytes.
Dumping objects ->
{3835277} normal block at 0x0000018D776F77A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x0000018D776F8140, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x0000018D776F7F80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x0000018D776F78F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000018D75AF73D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x0000018D776FF7F0, 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) : {3835189} normal block at 0x0000018D75AEBED0, 8 bytes long.
Data: < ëu > 00 00 EB 75 8D 01 00 00
{3833985} normal block at 0x0000018D75AEC330, 8 bytes long.
Data: < Ãyw > 10 C3 79 77 8D 01 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000018D75AF1780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000018D75AE8D40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x0000018D75AF84B0, 16 bytes long.
Data: <8‹¯u > 38 8B AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000018D75AF8550, 16 bytes long.
Data: < ‹¯u > 10 8B AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x0000018D75AF3CA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x0000018D75AF83C0, 16 bytes long.
Data: <芯u > E8 8A AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000018D75AF78D0, 16 bytes long.
Data: <ÀŠ¯u > C0 8A AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000018D75AF7920, 16 bytes long.
Data: < Š¯u > 98 8A AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000018D75AF8190, 16 bytes long.
Data: <pŠ¯u > 70 8A AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000018D75AF74B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x0000018D75AF7B00, 16 bytes long.
Data: < ®u > 08 07 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018D75AF42A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x0000018D75AF7830, 16 bytes long.
Data: <à ®u > E0 06 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018D75AF7790, 16 bytes long.
Data: <¸ ®u > B8 06 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018D75AF8140, 16 bytes long.
Data: < ®u > 90 06 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018D75AF8230, 16 bytes long.
Data: <h ®u > 68 06 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018D75AF7FB0, 16 bytes long.
Data: <@ ®u > 40 06 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018D75AF85F0, 16 bytes long.
Data: < ®u > 18 06 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018D75AF3B20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x0000018D75AF7A10, 16 bytes long.
Data: <ð ®u > F0 05 AE 75 8D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018D75AE05F0, 320 bytes long.
Data: < z¯u ;¯u > 10 7A AF 75 8D 01 00 00 20 3B AF 75 8D 01 00 00
{288} normal block at 0x0000018D75AF7DD0, 16 bytes long.
Data: <PŠ¯u > 50 8A AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018D75AF81E0, 16 bytes long.
Data: <(Š¯u > 28 8A AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018D75AF37C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x0000018D75AF76F0, 16 bytes long.
Data: < Š¯u > 00 8A AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018D75AF4360, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x0000018D75AF76A0, 16 bytes long.
Data: <H‰¯u > 48 89 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018D75AF80A0, 16 bytes long.
Data: < ‰¯u > 20 89 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018D75AF82D0, 16 bytes long.
Data: <ø ¯u > F8 88 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018D75AF7D30, 16 bytes long.
Data: <Ð ¯u > D0 88 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018D75AF8050, 16 bytes long.
Data: <¨ ¯u > A8 88 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018D75AF7EC0, 16 bytes long.
Data: < ¯u > 80 88 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018D75AF7740, 16 bytes long.
Data: <@t¯u > 40 74 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018D75AF7440, 40 bytes long.
Data: <@w¯u ð÷ow > 40 77 AF 75 8D 01 00 00 F0 F7 6F 77 8D 01 00 00
{274} normal block at 0x0000018D75AF8370, 16 bytes long.
Data: <` ¯u > 60 88 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018D75AF80F0, 16 bytes long.
Data: <8 ¯u > 38 88 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018D75AF3C40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x0000018D75AF77E0, 16 bytes long.
Data: < ¯u > 10 88 AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018D75AF8810, 992 bytes long.
Data: <àw¯u @<¯u > E0 77 AF 75 8D 01 00 00 40 3C AF 75 8D 01 00 00
{106} normal block at 0x0000018D75AF3FA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x0000018D75AEBFC0, 16 bytes long.
Data: < o¯u > 00 6F AF 75 8D 01 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x0000018D75AF6F00, 40 bytes long.
Data: <À¿®u  ?¯u > C0 BF AE 75 8D 01 00 00 A0 3F AF 75 8D 01 00 00
{83} normal block at 0x0000018D75AECCE0, 16 bytes long.
Data: < êD“÷ > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000018D75AEC4C0, 16 bytes long.
Data: <@éD“÷ > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000018D75AEC420, 16 bytes long.
Data: <øWA“÷ > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000018D75AECBF0, 16 bytes long.
Data: <ØWA“÷ > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000018D75AEBF20, 16 bytes long.
Data: <P A“÷ > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000018D75AEC150, 16 bytes long.
Data: <0 A“÷ > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000018D75AEC560, 16 bytes long.
Data: <à A“÷ > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000018D75AEC060, 16 bytes long.
Data: < A“÷ > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000018D75AEBF70, 16 bytes long.
Data: <p A“÷ > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000018D75AECC90, 16 bytes long.
Data: < À?“÷ > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra