Task 38600102
| Name | p38_A24_A33_r0_2-QUICO_ATM_GAFF2_NAGL_p38-2-6-RND7046_0 |
| Workunit | 31554886 |
| Created | 9 Apr 2026, 0:08:29 UTC |
| Sent | 9 Apr 2026, 0:08:43 UTC |
| Report deadline | 14 Apr 2026, 0:08:43 UTC |
| Received | 9 Apr 2026, 13:31:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640833 |
| Run time | 13 hours 22 min 34 sec |
| CPU time | 13 hours 6 min 33 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 2,507.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.48 MB |
| Peak swap size | 11.19 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:10:18 (18240): wrapper (7.9.26016): starting
02:10:18 (18240): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A33_0.pdb
QB_A24_A33_0.xml
QB_A24_A33.inpcrd
QB_A24_A33_input.yaml
QB_A24_A33.pdb
QB_A24_A33.prmtop
QB_A24_A33_sys.xml
run.bat
run.sh
02:10:19 (18240): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:10:19 (18240): 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\1\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\1\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: Exiting with failure status due to previous errors
15:31:26 (18240): C:/Windows/system32/cmd.exe exited; CPU time 47193.437500
15:31:26 (18240): 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: 712931967 bytes.
Dumping objects ->
{3835195} normal block at 0x00000186D199D500, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835184} normal block at 0x00000186D1945050, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835173} normal block at 0x00000186D1944F70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835162} normal block at 0x00000186D1944F00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835151} normal block at 0x00000186D1944D40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835120} normal block at 0x00000186D370A1A0, 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) : {3835107} normal block at 0x00000186D193D280, 8 bytes long.
Data: < Ýц > 00 00 DD D1 86 01 00 00
{3833957} normal block at 0x00000186D193DB40, 8 bytes long.
Data: < GvÓ† > 80 47 76 D3 86 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000186D19319D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000186D1930910, 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 0x00000186D1945E40, 16 bytes long.
Data: <¸h”ц > B8 68 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000186D1945EE0, 16 bytes long.
Data: < h”ц > 90 68 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000186D1940F90, 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 0x00000186D1945990, 16 bytes long.
Data: <hh”ц > 68 68 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000186D1945DA0, 16 bytes long.
Data: <@h”ц > 40 68 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000186D1945D50, 16 bytes long.
Data: < h”ц > 18 68 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000186D1945CB0, 16 bytes long.
Data: <ðg”ц > F0 67 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000186D1944C60, 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 0x00000186D1945A30, 16 bytes long.
Data: < “ц > 18 0E 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000186D19411D0, 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 0x00000186D1945710, 16 bytes long.
Data: <ð “ц > F0 0D 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000186D1945B70, 16 bytes long.
Data: <È “ц > C8 0D 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000186D19461B0, 16 bytes long.
Data: <  “ц > A0 0D 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000186D1946430, 16 bytes long.
Data: <x “ц > 78 0D 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000186D1946160, 16 bytes long.
Data: <P “ц > 50 0D 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000186D1945D00, 16 bytes long.
Data: <( “ц > 28 0D 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000186D1941470, 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 0x00000186D1945B20, 16 bytes long.
Data: < “ц > 00 0D 93 D1 86 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000186D1930D00, 320 bytes long.
Data: < [”ц p ”ц > 20 5B 94 D1 86 01 00 00 70 14 94 D1 86 01 00 00
{274} normal block at 0x00000186D1945850, 16 bytes long.
Data: <Ðg”ц > D0 67 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000186D1945AD0, 16 bytes long.
Data: <¨g”ц > A8 67 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000186D19414D0, 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 0x00000186D19462F0, 16 bytes long.
Data: < g”ц > 80 67 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000186D1940FF0, 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 0x00000186D1945C60, 16 bytes long.
Data: <Èf”ц > C8 66 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000186D1946110, 16 bytes long.
Data: < f”ц > A0 66 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000186D19458A0, 16 bytes long.
Data: <xf”ц > 78 66 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000186D19464D0, 16 bytes long.
Data: <Pf”ц > 50 66 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000186D1946020, 16 bytes long.
Data: <(f”ц > 28 66 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000186D19460C0, 16 bytes long.
Data: < f”ц > 00 66 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000186D1945940, 16 bytes long.
Data: <ðK”ц > F0 4B 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000186D1944BF0, 40 bytes long.
Data: <@Y”ц  ¡pÓ† > 40 59 94 D1 86 01 00 00 A0 A1 70 D3 86 01 00 00
{260} normal block at 0x00000186D1946070, 16 bytes long.
Data: <àe”ц > E0 65 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000186D1945FD0, 16 bytes long.
Data: <¸e”ц > B8 65 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000186D1940BD0, 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 0x00000186D19456C0, 16 bytes long.
Data: < e”ц > 90 65 94 D1 86 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000186D1946590, 992 bytes long.
Data: <ÀV”ц Ð ”ц > C0 56 94 D1 86 01 00 00 D0 0B 94 D1 86 01 00 00
{92} normal block at 0x00000186D1941770, 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 0x00000186D193D4B0, 16 bytes long.
Data: <0ےц > 30 DB 92 D1 86 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000186D192DB30, 40 bytes long.
Data: <°Ô“ц p ”ц > B0 D4 93 D1 86 01 00 00 70 17 94 D1 86 01 00 00
{69} normal block at 0x00000186D193DAF0, 16 bytes long.
Data: < ê æö > 80 EA 9D E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000186D193DD70, 16 bytes long.
Data: <@é æö > 40 E9 9D E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000186D193D910, 16 bytes long.
Data: <øWšæö > F8 57 9A E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000186D193D640, 16 bytes long.
Data: <ØWšæö > D8 57 9A E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000186D193DC80, 16 bytes long.
Data: <P šæö > 50 04 9A E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000186D193D460, 16 bytes long.
Data: <0 šæö > 30 04 9A E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000186D193D230, 16 bytes long.
Data: <à šæö > E0 02 9A E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000186D193D410, 16 bytes long.
Data: < šæö > 10 04 9A E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000186D193DB90, 16 bytes long.
Data: <p šæö > 70 04 9A E6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000186D193DBE0, 16 bytes long.
Data: < À æö > 18 C0 98 E6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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