Task 38688569
| Name | test_363-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1539_0 |
| Workunit | 31629907 |
| Created | 28 Oct 2026, 14:49:53 UTC |
| Sent | 28 Oct 2026, 14:50:00 UTC |
| Report deadline | 2 Nov 2026, 14:50:00 UTC |
| Received | 28 Oct 2026, 15:21:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628937 |
| Run time | 29 min 57 sec |
| CPU time | 27 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,738.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.86 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.48 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:51:47 (26556): wrapper (7.9.26016): starting
14:51:47 (26556): 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
14:51:48 (26556): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:51:48 (26556): 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
15:20:38 (26556): C:/Windows/system32/cmd.exe exited; CPU time 1638.109375
15:20:38 (26556): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26411457 bytes.
Dumping objects ->
{3835306} normal block at 0x000001F8250FF300, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835295} normal block at 0x000001F823566510, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835284} normal block at 0x000001F823566B30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835273} normal block at 0x000001F823566AC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x000001F823566A50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835231} normal block at 0x000001F825149EB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x000001F82515FCE0, 102 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) : {3835217} normal block at 0x000001F82355FE90, 8 bytes long.
Data: < #ø > 00 00 88 23 F8 01 00 00
{3834571} normal block at 0x000001F825160AA0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001F82355FC10, 8 bytes long.
Data: < äý$ø > A0 E4 FD 24 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F8235609A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F82354E750, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001F823566C40, 16 bytes long.
Data: <( V#ø > 28 7F 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F823567960, 16 bytes long.
Data: < V#ø > 00 7F 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F82355EAE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001F823566CE0, 16 bytes long.
Data: <Ø~V#ø > D8 7E 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F823567B40, 16 bytes long.
Data: <°~V#ø > B0 7E 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F823567500, 16 bytes long.
Data: < ~V#ø > 88 7E 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F823567780, 16 bytes long.
Data: <`~V#ø > 60 7E 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F8235664A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001F8235675A0, 16 bytes long.
Data: <¨ŒU#ø > A8 8C 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F82355EC00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001F823567460, 16 bytes long.
Data: < ŒU#ø > 80 8C 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F823567640, 16 bytes long.
Data: <XŒU#ø > 58 8C 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F823567230, 16 bytes long.
Data: <0ŒU#ø > 30 8C 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F823567B90, 16 bytes long.
Data: < ŒU#ø > 08 8C 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F823567320, 16 bytes long.
Data: <à‹U#ø > E0 8B 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F823566F60, 16 bytes long.
Data: <¸‹U#ø > B8 8B 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F82355E480, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001F823567410, 16 bytes long.
Data: < ‹U#ø > 90 8B 55 23 F8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F823558B90, 320 bytes long.
Data: < tV#ø äU#ø > 10 74 56 23 F8 01 00 00 80 E4 55 23 F8 01 00 00
{274} normal block at 0x000001F823567140, 16 bytes long.
Data: <@~V#ø > 40 7E 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F8235676E0, 16 bytes long.
Data: < ~V#ø > 18 7E 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F82355EFC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001F823567550, 16 bytes long.
Data: <ð}V#ø > F0 7D 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F82355E6C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001F8235674B0, 16 bytes long.
Data: <8}V#ø > 38 7D 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F8235675F0, 16 bytes long.
Data: < }V#ø > 10 7D 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F823566D80, 16 bytes long.
Data: <è|V#ø > E8 7C 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F8235673C0, 16 bytes long.
Data: <À|V#ø > C0 7C 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F8235671E0, 16 bytes long.
Data: < |V#ø > 98 7C 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F8235678C0, 16 bytes long.
Data: <p|V#ø > 70 7C 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F823567190, 16 bytes long.
Data: <ðeV#ø > F0 65 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F8235665F0, 40 bytes long.
Data: < qV#ø °ž %ø > 90 71 56 23 F8 01 00 00 B0 9E 14 25 F8 01 00 00
{260} normal block at 0x000001F823567370, 16 bytes long.
Data: <P|V#ø > 50 7C 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F823566DD0, 16 bytes long.
Data: <(|V#ø > 28 7C 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F82355F200, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001F823567280, 16 bytes long.
Data: < |V#ø > 00 7C 56 23 F8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F823567C00, 992 bytes long.
Data: < rV#ø òU#ø > 80 72 56 23 F8 01 00 00 00 F2 55 23 F8 01 00 00
{92} normal block at 0x000001F82355ECC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001F82355FBC0, 16 bytes long.
Data: < þT#ø > 10 FE 54 23 F8 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F82354FE10, 40 bytes long.
Data: <ÀûU#ø ÀìU#ø > C0 FB 55 23 F8 01 00 00 C0 EC 55 23 F8 01 00 00
{69} normal block at 0x000001F82355F620, 16 bytes long.
Data: < êÞÉö > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F82355FDF0, 16 bytes long.
Data: <@éÞÉö > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F82355FB70, 16 bytes long.
Data: <øWÛÉö > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F82355FA30, 16 bytes long.
Data: <ØWÛÉö > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F8235602F0, 16 bytes long.
Data: <P ÛÉö > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F82355FE40, 16 bytes long.
Data: <0 ÛÉö > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F82355FB20, 16 bytes long.
Data: <à ÛÉö > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F8235603E0, 16 bytes long.
Data: < ÛÉö > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F82355FAD0, 16 bytes long.
Data: <p ÛÉö > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F82355FA80, 16 bytes long.
Data: < ÀÙÉö > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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