Task 38678654
| Name | test_303-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6476_0 |
| Workunit | 31620465 |
| Created | 26 Oct 2026, 18:04:21 UTC |
| Sent | 26 Oct 2026, 18:04:25 UTC |
| Report deadline | 31 Oct 2026, 18:04:25 UTC |
| Received | 26 Oct 2026, 19:12:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 619058 |
| Run time | 20 min 34 sec |
| CPU time | 19 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.60 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:52:14 (38892): wrapper (7.9.26016): starting
12:52:14 (38892): 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
12:52:15 (38892): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:52:15 (38892): 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\9\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\9\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
13:11:45 (38892): C:/Windows/system32/cmd.exe exited; CPU time 1149.734375
13:11:45 (38892): 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: 30029863 bytes.
Dumping objects ->
{3835217} normal block at 0x0000026C8AAD56D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835206} normal block at 0x0000026C8AAD57B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835195} normal block at 0x0000026C8AAD5430, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835184} normal block at 0x0000026C8AAD5660, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835173} normal block at 0x0000026C8AAD5580, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835142} normal block at 0x0000026C8C838780, 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) : {3835129} normal block at 0x0000026C8AACDEE0, 8 bytes long.
Data: < ‹l > 00 00 0F 8B 6C 02 00 00
{3833963} normal block at 0x0000026C8AACDA30, 8 bytes long.
Data: < A‰Œl > 00 41 89 8C 6C 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026C8AAD1520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026C8AAC6930, 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 0x0000026C8AAD6720, 16 bytes long.
Data: <ht­Šl > 68 74 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026C8AAD6180, 16 bytes long.
Data: <@t­Šl > 40 74 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026C8AAD0250, 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 0x0000026C8AAD6EA0, 16 bytes long.
Data: < t­Šl > 18 74 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026C8AAD6400, 16 bytes long.
Data: <ðs­Šl > F0 73 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026C8AAD64F0, 16 bytes long.
Data: <Ès­Šl > C8 73 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026C8AAD64A0, 16 bytes long.
Data: < s­Šl > A0 73 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026C8AAD5510, 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 0x0000026C8AAD6860, 16 bytes long.
Data: <Ø ¬Šl > D8 98 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026C8AAD0BB0, 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 0x0000026C8AAD69F0, 16 bytes long.
Data: <° ¬Šl > B0 98 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026C8AAD6770, 16 bytes long.
Data: < ¬Šl > 88 98 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026C8AAD6E50, 16 bytes long.
Data: <` ¬Šl > 60 98 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026C8AAD6810, 16 bytes long.
Data: <8 ¬Šl > 38 98 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026C8AAD6E00, 16 bytes long.
Data: < ¬Šl > 10 98 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026C8AAD6AE0, 16 bytes long.
Data: <è—¬Šl > E8 97 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026C8AAD0B50, 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 0x0000026C8AAD6BD0, 16 bytes long.
Data: <À—¬Šl > C0 97 AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026C8AAC97C0, 320 bytes long.
Data: <Ðk­Šl P ­Šl > D0 6B AD 8A 6C 02 00 00 50 0B AD 8A 6C 02 00 00
{277} normal block at 0x0000026C8AAD6C70, 16 bytes long.
Data: < s­Šl > 80 73 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026C8AAD6D60, 16 bytes long.
Data: <Xs­Šl > 58 73 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026C8AAD0AF0, 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 0x0000026C8AAD6B30, 16 bytes long.
Data: <0s­Šl > 30 73 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026C8AAD0A30, 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 0x0000026C8AAD69A0, 16 bytes long.
Data: <xr­Šl > 78 72 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026C8AAD65E0, 16 bytes long.
Data: <Pr­Šl > 50 72 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026C8AAD6900, 16 bytes long.
Data: <(r­Šl > 28 72 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026C8AAD6A40, 16 bytes long.
Data: < r­Šl > 00 72 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026C8AAD6D10, 16 bytes long.
Data: <Øq­Šl > D8 71 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026C8AAD63B0, 16 bytes long.
Data: <°q­Šl > B0 71 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026C8AAD6F90, 16 bytes long.
Data: < T­Šl > A0 54 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026C8AAD54A0, 40 bytes long.
Data: < o­Šl ‡ƒŒl > 90 6F AD 8A 6C 02 00 00 80 87 83 8C 6C 02 00 00
{263} normal block at 0x0000026C8AAD6220, 16 bytes long.
Data: < q­Šl > 90 71 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026C8AAD62C0, 16 bytes long.
Data: <hq­Šl > 68 71 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026C8AAD0550, 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 0x0000026C8AAD6F40, 16 bytes long.
Data: <@q­Šl > 40 71 AD 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026C8AAD7140, 992 bytes long.
Data: <@o­Šl P ­Šl > 40 6F AD 8A 6C 02 00 00 50 05 AD 8A 6C 02 00 00
{95} normal block at 0x0000026C8AAD0E50, 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 0x0000026C8AACE160, 16 bytes long.
Data: <0ú¬Šl > 30 FA AC 8A 6C 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000026C8AACFA30, 40 bytes long.
Data: <`ᬊl P ­Šl > 60 E1 AC 8A 6C 02 00 00 50 0E AD 8A 6C 02 00 00
{72} normal block at 0x0000026C8AACE4D0, 16 bytes long.
Data: < ê ÷ > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026C8AACE7F0, 16 bytes long.
Data: <@é ÷ > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026C8AACE390, 16 bytes long.
Data: <øW• ÷ > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026C8AACDFD0, 16 bytes long.
Data: <ØW• ÷ > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026C8AACDDF0, 16 bytes long.
Data: <P • ÷ > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026C8AACE340, 16 bytes long.
Data: <0 • ÷ > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026C8AACE5C0, 16 bytes long.
Data: <à • ÷ > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026C8AACDBC0, 16 bytes long.
Data: < • ÷ > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026C8AACE480, 16 bytes long.
Data: <p • ÷ > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026C8AACE980, 16 bytes long.
Data: < À“ ÷ > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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