Task 38670956
| Name | test_479-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8676_0 |
| Workunit | 31613180 |
| Created | 25 Oct 2026, 19:05:00 UTC |
| Sent | 25 Oct 2026, 19:05:05 UTC |
| Report deadline | 30 Oct 2026, 19:05:05 UTC |
| Received | 27 Oct 2026, 18:18:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590858 |
| Run time | 23 min 1 sec |
| CPU time | 22 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,266.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.74 MB |
| Peak swap size | 3.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
18:54:21 (13260): wrapper (7.9.26016): starting
18:54:21 (13260): 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
18:54:22 (13260): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:54:22 (13260): 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
19:16:55 (13260): C:/Windows/system32/cmd.exe exited; CPU time 1320.750000
19:16:55 (13260): 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: 23997813 bytes.
Dumping objects ->
{3835503} normal block at 0x000001ED84A147E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835492} normal block at 0x000001ED84A143F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x000001ED84A140E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835470} normal block at 0x000001ED84A141C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835459} normal block at 0x000001ED82CB5FC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835428} normal block at 0x000001ED84989B90, 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) : {3835415} normal block at 0x000001ED82CAE810, 8 bytes long.
Data: < m„í > 00 00 6D 84 ED 01 00 00
{3833963} normal block at 0x000001ED82CAE7C0, 8 bytes long.
Data: < ê ƒí > 90 EA 11 83 ED 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001ED82CB1AE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001ED82CA67F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001ED82CB6440, 16 bytes long.
Data: <¸sË‚í > B8 73 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001ED82CB6BC0, 16 bytes long.
Data: < sË‚í > 90 73 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ED82CB01F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001ED82CB64E0, 16 bytes long.
Data: <hsË‚í > 68 73 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ED82CB6800, 16 bytes long.
Data: <@sË‚í > 40 73 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ED82CB6B70, 16 bytes long.
Data: < sË‚í > 18 73 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ED82CB67B0, 16 bytes long.
Data: <ðrË‚í > F0 72 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ED82CB5A10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001ED82CB6990, 16 bytes long.
Data: <X Ê‚í > 58 98 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ED82CB0250, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001ED82CB62B0, 16 bytes long.
Data: <0 Ê‚í > 30 98 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ED82CB61C0, 16 bytes long.
Data: < Ê‚í > 08 98 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ED82CB6260, 16 bytes long.
Data: <à—Ê‚í > E0 97 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ED82CB6710, 16 bytes long.
Data: <¸—Ê‚í > B8 97 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ED82CB6940, 16 bytes long.
Data: < —Ê‚í > 90 97 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ED82CB6C10, 16 bytes long.
Data: <h—Ê‚í > 68 97 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ED82CB0310, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001ED82CB6760, 16 bytes long.
Data: <@—Ê‚í > 40 97 CA 82 ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ED82CA9740, 320 bytes long.
Data: <`gË‚í Ë‚í > 60 67 CB 82 ED 01 00 00 10 03 CB 82 ED 01 00 00
{277} normal block at 0x000001ED82CB66C0, 16 bytes long.
Data: <ÐrË‚í > D0 72 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ED82CB6670, 16 bytes long.
Data: <¨rË‚í > A8 72 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ED82CAFF50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001ED82CB6170, 16 bytes long.
Data: < rË‚í > 80 72 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ED82CB04F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001ED82CB6B20, 16 bytes long.
Data: <ÈqË‚í > C8 71 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ED82CB6EE0, 16 bytes long.
Data: < qË‚í > A0 71 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ED82CB6AD0, 16 bytes long.
Data: <xqË‚í > 78 71 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ED82CB6FD0, 16 bytes long.
Data: <PqË‚í > 50 71 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED82CB60D0, 16 bytes long.
Data: <(qË‚í > 28 71 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ED82CB6210, 16 bytes long.
Data: < qË‚í > 00 71 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ED82CB68F0, 16 bytes long.
Data: <ÀXË‚í > C0 58 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ED82CB58C0, 40 bytes long.
Data: <ðhË‚í › „í > F0 68 CB 82 ED 01 00 00 90 9B 98 84 ED 01 00 00
{263} normal block at 0x000001ED82CB6120, 16 bytes long.
Data: <àpË‚í > E0 70 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ED82CB6A30, 16 bytes long.
Data: <¸pË‚í > B8 70 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ED82CB0370, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001ED82CB6DA0, 16 bytes long.
Data: < pË‚í > 90 70 CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ED82CB7090, 992 bytes long.
Data: < mË‚í p Ë‚í > A0 6D CB 82 ED 01 00 00 70 03 CB 82 ED 01 00 00
{95} normal block at 0x000001ED82CAFDD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001ED82CADFF0, 16 bytes long.
Data: <Ð[Ë‚í > D0 5B CB 82 ED 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001ED82CB5BD0, 40 bytes long.
Data: <ðßÊ‚í ÐýÊ‚í > F0 DF CA 82 ED 01 00 00 D0 FD CA 82 ED 01 00 00
{72} normal block at 0x000001ED82CAE450, 16 bytes long.
Data: < ê”rö > 80 EA 94 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001ED82CAE270, 16 bytes long.
Data: <@é”rö > 40 E9 94 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ED82CAE310, 16 bytes long.
Data: <øW‘rö > F8 57 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ED82CADA50, 16 bytes long.
Data: <ØW‘rö > D8 57 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ED82CAE6D0, 16 bytes long.
Data: <P ‘rö > 50 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ED82CAE400, 16 bytes long.
Data: <0 ‘rö > 30 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ED82CADAA0, 16 bytes long.
Data: <à ‘rö > E0 02 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ED82CAE900, 16 bytes long.
Data: < ‘rö > 10 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ED82CADC30, 16 bytes long.
Data: <p ‘rö > 70 04 91 72 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ED82CAE4A0, 16 bytes long.
Data: < À rö > 18 C0 8F 72 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra